Methyl 1-naphthaleneacetate

Base Information

• Chemical Name: Methyl 1-naphthaleneacetate
• CAS No.: 2876-78-0
• Molecular Formula: C13H12 O2
• Molecular Weight: 200.237
• Hs Code.: 2916399090
• European Community (EC) Number: 220-720-0
• NSC Number: 122030
• UNII: B2TU4BI7PT
• DSSTox Substance ID: DTXSID2042143
• Nikkaji Number: J7.925A
• Wikidata: Q27274285
• ChEMBL ID: CHEMBL3182503
• Mol file: 2876-78-0.mol

Synonyms:Methyl 1-naphthaleneacetate;2876-78-0;Methyl 1-naphthylacetate;1-Naphthaleneacetic Acid Methyl Ester;Hormonit;Kartofin;methyl 2-(naphthalen-1-yl)acetate;1-NAPHTHALENEACETIC ACID, METHYL ESTER;methyl 2-naphthalen-1-ylacetate;Methyl naphthalene-1-acetate;M 1 (Growth regulator);Methyl alpha-naphthylacetate;Methyl naphthaleneacetic acid;Latka M-1;Latka M-1 [Czech];Naphthaleneacetic acid methyl ester;methyl 1-naphthalenylacetate;NSC 122030;Methyl .alpha.-naphthylacetate;Methyl 1-naphthaleneacetic acid;.alpha.-Naphthaleneacetic acid methyl ester;1-Naphthylacetic acid methyl ester;Methyl naphthaleneacetate;Methylester kyseliny 1-naftyloctove;Naphthaleneacetic acid, methyl ester;EINECS 220-720-0;UNII-B2TU4BI7PT;B2TU4BI7PT;alpha-Naphthylacetic acid methyl ester;BRN 1956293;.alpha.-Naphthylacetic acid methyl ester;AI3-02253;Methylester kyseliny 1-naftyloctove [Czech];1334-87-8;DTXSID2042143;MFCD00004045;NSC-122030;4-09-00-02425 (Beilstein Handbook Reference);Enamine_001683;Methyl1-naphthaleneacetate;methyl naphthalen-1-ylacetate;SCHEMBL709403;WLN: L66J B1VO1;Methyl-1-naphtaleneacetic acid;CHEMBL3182503;DTXCID0022143;YGGXZTQSGNFKPJ-UHFFFAOYSA-;HMS1398M11;Methyl 1-naphthaleneacetate, 96%;alpha-naphthaleneacetic methyl ester;1-Naphthyl acetic acid-methyl ester;Tox21_300665;NSC122030;STL507839;AKOS000295891;naphthalene-1-acetic acid methyl ester;CCG-353649;CS-W015616;METHYL .ALPHA.-NAPHTHALENEACETATE;NCGC00248133-01;NCGC00254573-01;AC-28035;DS-10168;LS-94352;SY003589;CAS-2876-78-0;1-Naphthaleneacetic acid, methyl ester (ACN;alpha-(1-Naphthyl)-acetic acid methyl ester;FT-0628370;N0570;EN300-61311;NAPHTHALENEACETIC ACID METHYL ESTER, 1-;A819583;W-107031;Q27274285;Z19679503;F0701-0041;Methyl 1-naphthaleneacetate, PESTANAL(R), analytical standard

Chemical Property of Methyl 1-naphthaleneacetate

Chemical Property:

• Melting Point: 143-144 °C
• Refractive Index: n20/D 1.597(lit.)
• Boiling Point: 160-162 ºC (5 mmHg)
• Flash Point: >110 ºC
• PSA: 26.30000
• Density: 1.142
• LogP: 2.55530
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Sparingly soluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 1-naphthaleneacetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)CC1=CC=CC2=CC=CC=C21
• Uses: Methyl 1-naphthylacetate, is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of Methyl 1-naphthaleneacetate

There total 59 articles about Methyl 1-naphthaleneacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

methanol (67-56-1) + naphth-1-yl acetic acid (86-87-3) → methyl 1-naphthylacetate (2876-78-0)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1016/S0968-0896(03)00220-7

Reference yield: 100.0%

methanol (67-56-1) + 1-Naphthylacetamide (86-86-2) → methyl 1-naphthylacetate (2876-78-0)

Guidance literature:

With potassium hydrogensulfate; at 65 ℃; for 12h;

DOI:10.24820/ark.5550190.p010.392

Reference yield: 95.0%

naphth-1-yl acetic acid (86-87-3) + methyl salicylate (119-36-8,8024-54-2) → methyl 1-naphthylacetate (2876-78-0) + salicylic acid (69-72-7,25496-36-0,8052-31-1)

Guidance literature:

naphth-1-yl acetic acid; With potassium carbonate; In N,N-dimethyl acetamide; at 110 ℃; for 0.5h;

methyl salicylate; at 110 ℃; for 24h;

DOI:10.1055/s-0033-1340285

upstream raw materials:

methanol

naphthalen-1-ylacetonitrile

naphth-1-yl acetic acid

4-(naphthalen-1-yl-thioacetyl)-morpholine

Downstream raw materials:

naphthalen-1-yl-acetic acid hydrazide

methyl α-oxo-1-naphthaleneacetate

naphth-1-yl acetic acid

2-Naphthalen-1-yl-4H-benzo[1,4]thiazin-3-one

Refernces

• 1、 Sun, Juan,Liu, Jia-Jia,Zhou, Wei,Guo, Feng-Jiao,Wang, Xin-Yi,Zhu, Hai-Liang. "4-Hydroxy-3-(naphthalen-1-ylmethyl)thiophen-2(5H)-one as inhibitors of tyrosyl-tRNA synthase: Synthesis, molecular docking and antibacterial evaluation". . p. 104 - 109. Retrieved 2014.
• 2、 Givens,R.S.,Strekowski,L.. "-". . p. 5867 - 5873. Retrieved 1975.
• 3、 Ahmad, Fawad,Alelwani, Walla,Alkahtani, Muneera D. F.,Alnajeebi, Afnan M.,Alshater, Heba,Alzahrani, Seraj Omar,Ayub, Rabia,Babar Taj, Muhammad,Babteen, Nouf Abubakr,Bannunah, Azzah M.,Noor, Sadia,Tirmizi, Syed Ahmad. "Synthesis of new naphthyl aceto hydrazone-based metal complexes: Micellar interactions, DNA binding, antimicrobial, and cancer inhibition studies". . . Retrieved 2021.
• 4、 Cheng, Xionglve,Jiang, Gangzhong,Li, Xingxing,Tao, Suyan,Wan, Xiaobing,Zhao, Yanwei,Zheng, Yonggao. "Green Esterification of Carboxylic Acids Promoted by tert-Butyl Nitrite". supporting information. p. 2713 - 2718. Retrieved 2021/06/25.