2-(7-Methoxynaphthalen-1-yl)acetic acid

Base Information

• Chemical Name: 2-(7-Methoxynaphthalen-1-yl)acetic acid
• CAS No.: 6836-22-2
• Molecular Formula: C13H12O3
• Molecular Weight: 216.236
• Hs Code.: 2918990090
• European Community (EC) Number: 834-006-7
• DSSTox Substance ID: DTXSID10544066
• Mol file: 6836-22-2.mol

Synonyms:6836-22-2;2-(7-Methoxynaphthalen-1-yl)acetic acid;7-Methoxy-1-naphthaleneacetic acid;(7-Methoxy-1-naphthyl)acetic acid;1-Naphthaleneacetic acid, 7-methoxy-;2-(7-Methoxy-1-naphthyl)acetic Acid;MFCD12756806;7-Methyl-1-naphthyl acetic acid;(7-methoxynaphth-1-yl)acetic acid;2-(7-Methoxynaphthalen-1-yl)aceticacid;SCHEMBL3914252;7-methoxynaphth-1-ylacetic acid;DTXSID10544066;7-methoxy-1-naphthyl acetic acid;GJPYHKXILUFWKV-UHFFFAOYSA-N;BCP26975;[7-methoxy(naphth-1-yl)]acetic acid;2-(7-methoxynaphth-1-yl)acetic acid;AKOS015915486;CS-W003836;HY-W003836;(7-Methoxy-naphthalen-1-yl)-acetic acid;AC-25894;SY033441;TS-03084;A9110;M2888;(7-METHOXYNAPHTHALEN-1-YL)ACETIC ACID;EN300-117148;J-501706;Z1501269085;2-(7-methoxynaphthalen-1-yl)acetic acid

Chemical Property of 2-(7-Methoxynaphthalen-1-yl)acetic acid

Chemical Property:

• Vapor Pressure: 2.04E-07mmHg at 25°C
• Melting Point: 153-154 °C
• Refractive Index: 1.625
• Boiling Point: 408.8 °C at 760 mmHg
• PKA: 4.33±0.30(Predicted)
• Flash Point: 160.7 °C
• PSA: 46.53000
• Density: 1.235 g/cm³
• LogP: 2.47550
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Dichloromethane (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

2-(7-Methoxynaphthalen-1-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=CC=C2CC(=O)O)C=C1

Technology Process of 2-(7-Methoxynaphthalen-1-yl)acetic acid

There total 16 articles about 2-(7-Methoxynaphthalen-1-yl)acetic acid 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: 95.0%

[7-Methoxy-3,4-dihydro-2H-naphthalen-(1E)-ylidene]-acetic acid (63319-95-9) → 2-(7-methoxynaphthalen-1-yl)acetic acid (6836-22-2)

Guidance literature:

With palladium on activated charcoal; sodium carbonate; acrylic acid; In water; at 100 - 105 ℃;

Reference yield: 93.0%

(7-methoxy-1-naphthyl)acetonitrile (138113-08-3) → 2-(7-methoxynaphthalen-1-yl)acetic acid (6836-22-2)

Guidance literature:

With water; sodium hydroxide; at 120 ℃; for 0.666667h; Microwave irradiation;

DOI:10.1080/00304948.2013.798573

Reference yield: 90.0%

ethyl 2-(7-methoxynaphthalen-1-yl)acetate (6836-21-1) → 2-(7-methoxynaphthalen-1-yl)acetic acid (6836-22-2)

Guidance literature:

ethyl 2-(7-methoxynaphthalen-1-yl)acetate; With sodium hydroxide; water; In methanol; at 40 ℃; for 2h;

With hydrogenchloride; In water; pH=2;

upstream raw materials:

7-Methoxy-1-tetralone

methyl 2-(7-methoxynaphthalen-1-yl)acetate

ethyl bromoacetate

ethyl 2-(7-methoxynaphthalen-1-yl)acetate

Downstream raw materials:

2-(7-methoxynaphth-1-yl)ethylamine

1-chloromethyl-7-methoxynaphthalene

1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3.5.7-triaza-1-azoniatricyclo[3.3.1.1³'⁷]decane 4-nitrobenzene sulfonate

2-(7-methoxynaphthalen-1-yl)ethyl 4-nitrobenzene sulfonate

Refernces

• 1、 Vujjini, Satish Kumar,Datla, V.R. Krishnam Raju,Badarla, Krishna Rao,Vetukuri, V.N.K.V. Prasada Raju,Bandichhor, Rakeshwar,Kagga, Mukkanti,Cherukupally, Praveen. "Total synthesis of agomelatine via Friedel-Crafts acylation followed by Willgerodt-Kindler reaction". . p. 3885 - 3887. Retrieved 2014/07/08.
• 2、 -. "AGOMELATINE AND PHARMACEUTICAL COMPOSITIONS THEREOF". . . Retrieved 2012/07/27.