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3-(4-METHOXYBENZOYL)PROPIONIC ACID is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 3153-44-4 Structure
  • Basic information

    1. Product Name: 3-(4-METHOXYBENZOYL)PROPIONIC ACID
    2. Synonyms: B-(4-METHOXYBENZOYL)-PROPIONIC ACID;BETA-(P-METHOXYBENZOYL)PROPIONIC ACID;AKOS BB-9556;4-(4-METHOXYPHENYL)-4-OXOBUTANOIC ACID;4-(4-METHOXYPHENYL)-4-OXOBUTYRIC ACID;3-(P-METHOXYBENZOYL)PROPIONIC ACID;3-P-ANISOYLPROPIONIC ACID;3-(4-METHOXYBENZOYL)PROPIONIC ACID
    3. CAS NO:3153-44-4
    4. Molecular Formula: C11H12O4
    5. Molecular Weight: 208.21
    6. EINECS: 221-593-4
    7. Product Categories: Aromatic Propionic Acids;C11 to C12;Carbonyl Compounds;Carboxylic Acids
    8. Mol File: 3153-44-4.mol
    9. Article Data: 86
  • Chemical Properties

    1. Melting Point: 148-150 °C(lit.)
    2. Boiling Point: 307.4°C (rough estimate)
    3. Flash Point: 167.486 °C
    4. Appearance: White crystalline powder
    5. Density: 1.2252 (rough estimate)
    6. Vapor Pressure: 8.66E-08mmHg at 25°C
    7. Refractive Index: 1.5020 (estimate)
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 4.58±0.17(Predicted)
    11. Water Solubility: 18g/L at 25℃
    12. BRN: 785074
    13. CAS DataBase Reference: 3-(4-METHOXYBENZOYL)PROPIONIC ACID(CAS DataBase Reference)
    14. NIST Chemistry Reference: 3-(4-METHOXYBENZOYL)PROPIONIC ACID(3153-44-4)
    15. EPA Substance Registry System: 3-(4-METHOXYBENZOYL)PROPIONIC ACID(3153-44-4)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 3153-44-4(Hazardous Substances Data)

3153-44-4 Usage

Chemical Properties

WHITE CRYSTALLINE POWDER

Synthesis Reference(s)

Journal of the American Chemical Society, 70, p. 331, 1948 DOI: 10.1021/ja01181a103

Check Digit Verification of cas no

The CAS Registry Mumber 3153-44-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,1,5 and 3 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 3153-44:
(6*3)+(5*1)+(4*5)+(3*3)+(2*4)+(1*4)=64
64 % 10 = 4
So 3153-44-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)/p-1

3153-44-4 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (A18210)  3-(4-Methoxybenzoyl)propionic acid, 98+%   

  • 3153-44-4

  • 5g

  • 368.0CNY

  • Detail
  • Alfa Aesar

  • (A18210)  3-(4-Methoxybenzoyl)propionic acid, 98+%   

  • 3153-44-4

  • 25g

  • 1482.0CNY

  • Detail
  • Alfa Aesar

  • (A18210)  3-(4-Methoxybenzoyl)propionic acid, 98+%   

  • 3153-44-4

  • 100g

  • 4739.0CNY

  • Detail

3153-44-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(4-methoxyphenyl)-4-oxobutanoic acid

1.2 Other means of identification

Product number -
Other names 3-(4-Methoxybenzoyl)-propionic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3153-44-4 SDS

3153-44-4Relevant articles and documents

Design, synthesis and biological evaluation of 3,4-dihydronaphthalen-1(2H)-one derivatives as Bcl-2 inhibitors

Wang, Fuli,Zhang, Rongxiang,Cui, Yong,Sheng, Liping,Sun, Yinping,Tian, Wei,Liu, Xiao,Liang, Shuzeng

, p. 5933 - 5942 (2017)

Abstract: A series of new 3,4-dihydronaphthalen-1(2H)-one derivatives (6a–f) were designed, and synthesized by the Claisen–Schmidt condensation reaction. Their structures were characterized by NMR, FTIR, and MS spectroscopy. Their antitumor activities against human neoplastic cell lines Hela, Hepg2, K562, THP-1, SW1990, MIA PaCa-2, NCI-H460 and SK-BR-3 by the MTT method exhibited obvious anticancer activities and their cytotoxicities for LO2 cell lines were lower than DOX, especially for 6b and 6d. The inhibition activities against the Bcl-2 protein for 6b was evaluated and the result shows that lipophilic 3,4-dimethoxybenzylidene and 3,4-dihydronaphthalen-1(2H)-one could bind slightly to the active pockets of the Bcl-2 protein.

In silico designing, in vitro and in vivo evaluation of potential PPAR-γ agonists derived from aryl propionic acid scaffold

Kharbanda, Chetna,Alam, Mohammad Sarwar,Hamid, Hinna,Ali, Yakub,Nazreen, Syed,Dhulap, Abhijeet,Alam, Perwez,Pasha

, (2020/11/27)

Attributed to several side effects, especially on hepatic tissues and body weight, there is always an urge of innovation and upgrading in already existing medication being used in maintaining diabetic condition. Therefore, in the present work, forty-eight molecules derived from arylpropionic acid scaffold were synthesized and their evaluation against diabetes was carried out. The synthesis of these molecules attributed to excellent dock score displayed by all the structures performed against PPAR-γ receptor site. Subsequently, all the derivatives were primarily deduced for their antidiabetic potential by OGTT. The compounds that showed significant antidiabetic activity in OGT Test and also exhibited high dock scores were assessed further by in vitro PPAR transactivation assay to assure analogy between in vivo and in vitro studies. The antidiabetic activity of these active compounds was then evaluated on STZ induced diabetic model in vivo. The most active compounds were scrutinized for its effect on PPAR-γ gene expression and hepatotoxic effect. Finally, it was recapitulated that these derivatives can provide a new prospect towards the development of antidiabetic agents with fewer side effects.

Identification of First-in-Class Inhibitors of Kallikrein-Related Peptidase 6 That Promote Oligodendrocyte Differentiation

A?t Amiri, Sabrina,Deboux, Cyrille,Soualmia, Feryel,Chaaya, Nancy,Louet, Maxime,Duplus, Eric,Betuing, Sandrine,Nait Oumesmar, Brahim,Masurier, Nicolas,El Amri, Chahrazade

supporting information, p. 5667 - 5688 (2021/05/29)

Multiple sclerosis (MS) is an autoimmune demyelinating disease of the central nervous system (CNS) that causes severe motor, sensory, and cognitive impairments. Kallikrein-related peptidase (KLK)6 is the most abundant serine protease secreted in the CNS, mainly by oligodendrocytes, the myelin-producing cells of the CNS, and KLK6 is assumed to be a robust biomarker of MS, since it is highly increased in the cerebrospinal fluid (CSF) of MS patients. Here, we report the design and biological evaluation of KLK6's low-molecular-weight inhibitors, para-aminobenzyl derivatives. Interestingly, selected hit compounds were selective of the KLK6 proteolytic network encompassing KLK1 and plasmin that also participate in the development of MS physiopathology. Moreover, hits were found noncytotoxic on primary cultures of murine neurons and oligodendrocyte precursor cells (OPCs). Among them, two compounds (32 and 42) were shown to promote the differentiation of OPCs into mature oligodendrocytes in vitro constituting thus emerging leads for the development of regenerative therapies.

Direct Synthesis of Chiral NH Lactams via Ru-Catalyzed Asymmetric Reductive Amination/Cyclization Cascade of Keto Acids/Esters

Shi, Yongjie,Tan, Xuefeng,Gao, Shuang,Zhang, Yao,Wang, Jingxin,Zhang, Xumu,Yin, Qin

supporting information, p. 2707 - 2713 (2020/03/30)

Lactams with a stereogenic center adjacent to the N atom have existed in many medicinal agents and bioactive alkaloids. Herein we report a broadly applicable synthesis of enantioenriched NH lactams through a one-pot asymmetric reductive amination/cyclization sequence of easily available keto acids/esters. Such cascade processes alleviate the demand for protecting group manipulations as well as intermediate purification. This strategy is capable of constructing enantioenriched lactams and benzo-lactams of a five-, six-, or seven-membered ring in generally high yield and with excellent enantioselectivities (up to 97% ee). Scalable and concise syntheses of key drug intermediates have further displayed the importance of this methodology.

Potential anti-neuroinflammatory NF-кB inhibitors based on 3,4-dihydronaphthalen-1(2H)-one derivatives

Sun, Yue,Zhou, Yan-Qiu,Liu, Yin-Kai,Zhang, Hong-Qin,Hou, Gui-Ge,Meng, Qing-Guo,Hou, Yun

, p. 1631 - 1640 (2020/08/19)

Nuclear factor kappa B (NF-кB) inhibition represents a new therapeutic strategy for the treatment of neuroinflammatory diseases. In this study, a series of 3,4-dihydronaphthalen-1(2H)-one (DHN; 6a-n, 7a-c) derivatives were synthesised and characterised by NMR and HRMS. We assessed the toxicity and anti-neuroinflammatory properties of these compounds and found that 6m showed the greatest anti-neuroinflammatory properties, with relatively low toxicity. Specifically, 6m significantly reduced reactive oxygen species production, down-regulated the expression of NOD-like receptor pyrin domain-containing protein 3 (NLRP3), apoptosis-associated speck-like protein containing a CARD (ASC), and caspase-1 and prevented lipopolysaccharide-stimulated BV2 microglia cells polarisation towards an M1 phenotype. Furthermore, 6m significantly decreased IκBα and NF-кB p65 phosphorylation, thus inhibiting the NF-кB signalling pathway. This suggests that 6m may be explored as a functional anti-neuroinflammatory agent for the treatment of inflammatory diseases in the central nervous system, such as multiple sclerosis, traumatic brain injury, stroke and spinal cord injury.

Synthesis, anti-convulsant activity and molecular docking study of novel thiazole pyridazinone hybrid analogues

Khisal, Subuhi,Mishra, Ravinesh,Partap, Sangh,Siddiqui, Aness Ahmad,Yar, Mohammad Shahar

, (2020/04/07)

Pyridazinone analogues have been known to be potential candidates for anticonvulsant agents. We have identified several pyridazinone-based anticonvulsant agents. As a continuation to our previous research, a series of hybrid pyridazinone-thiazole connected through amide linkage were designed and synthesized. Among these, compound SP-5F demonstrated significant anticonvulsant activity with median effective dose of 24.38 mg/kg (MES) and 88.23 mg/kg (scPTz). Results of GABA estimation showed a marked increase in the GABA level when compared with control. Molecular docking studies at the active site of GABA receptor, further confirmed the GABA modulatory effects of SP-5F.

Site- And enantiodifferentiating C(sp3)-H oxidation enables asymmetric access to structurally and stereochemically diverse saturated cyclic ethers

Liu, Lei,Sun, Shutao,Yang, Yiying,Zhang, Dongju,Zhao, Ran

supporting information, p. 19346 - 19353 (2020/12/01)

A manganese-catalyzed site- and enantiodifferentiating oxidation of C(sp3)-H bonds in saturated cyclic ethers has been described. The mild and practical method is applicable to a range of tetrahydrofurans, tetrahydropyrans, and medium-sized cyclic ethers with multiple stereocenters and diverse substituent patterns in high efficiency with extremely efficient site- and enantiodiscrimination. Late-stage application in complex biological active molecules was further demonstrated. Mechanistic studies by combined experiments and computations elucidated the reaction mechanism and origins of stereoselectivity. The ability to employ ether substrates as the limiting reagent, together with a broad substrate scope, and a high level of chiral recognition, represent a valuable demonstration of the utility of asymmetric C(sp3)-H oxidation in complex molecule synthesis.

One-Pot Synthesis of 2,5-Disubstituted Furans through In Situ Formation of Allenes and Enolization Cascade

Bernhard, Yann,Gilbert, Joachim,Bousquet, Till,Favrelle-Huret, Audrey,Zinck, Philippe,Pellegrini, Sylvain,Pelinski, Lydie

supporting information, p. 7870 - 7873 (2019/12/24)

A one-pot synthesis of 2,5-disubstituted furans from γ-ketoacids is reported. In situ formation of allenoates by action of chloroformate on carboxylic acid following by enolization of ketone affords furan derivatives by cyclization. The reaction was extended to a wide scope of ketoacids and phosphonium salts. This methodology was applied on levulinic acid and derivatives, one of the biosourced platform chemicals.

Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-Tetrahydrobenzo[ h]quinazolin-2-Amine derivatives

Sun, Yue,Gao, Zhongfei,Wang, Chunhua,Hou, Guige

, p. 1157 - 1165 (2019/08/13)

Two fluorine-substituted 1,4,5,6-Tetrahydrobenzo[h]quinazolin-2-Amine (BQA) derivatives, namely 2-Amino-4-(2-fluorophenyl)-9-methoxy-1,4,5,6-Tetrahydrobenzo[ h]quinazolin-3-ium chloride, (8), and 2-Amino-4-(4-fluorophenyl)-9-methoxy-1,4,5,6-Tetrahydrobenzo[h]quinazolin-3-ium chloride, (9), both C19H19-FN3O+-Cl-, were generated by Michael addition reactions between guanidine hydrochloride and the -,unsaturated ketones (E)-2-(2-fluorobenzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C18H15FO2, (6), and (E)-2-(4-fluorobenzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, (7). Because both sides of -,unsaturated ketones (6) or (7) can be attacked by guanidine, we obtained a pair of isomers in (8) and (9). Single-crystal X-ray diffraction indicates that each isomer has a chiral C atom and both (8) and (9) crystallize in the achiral space group P21/c. The chloride ion, as a hydrogen-bond acceptor, plays an important role in the formation of multiple hydrogen bonds. Thus, adjacent molecules are connected through intermolecular hydrogen bonds to generate a banded structure. Furthermore, these bands are linked into an interesting 3D network via hydrogen bonds and - interactions. Fortunately, the solubilities of (8) and (9) were distinctly improved and can exceed 50 mg ml-1 in water or PBS buffer system (pH 7.4) at room temperature. In addition, the results of an investigation of anti-inflammatory activity show that (8) and (9), with o-and p-fluoro substituents, respectively, display more potential for inhibitory effects on LPS-induced NO secretion than starting ketones (6) and (7).

PROCESS FOR THE PREPARATION OF AGOMELATINE IN CRYSTALLINE FORM

-

Page/Page column 38, (2019/05/02)

The present invention pertains to a process for the preparation of polymorph form X of agomelatine, which comprises providing agomelatine, and crystallizing agomelatine in the presence of at least one of an acid and a salt thereof, and to a polymorph form of agomelatine.

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