Methyl 3-aminophenylacetate

Base Information

• Chemical Name: Methyl 3-aminophenylacetate
• CAS No.: 52913-11-8
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2922499990
• European Community (EC) Number: 807-925-6
• DSSTox Substance ID: DTXSID20516592
• Nikkaji Number: J2.016.842K
• Wikidata: Q82378071
• Mol file: 52913-11-8.mol

Synonyms:Methyl 3-aminophenylacetate;52913-11-8;methyl 2-(3-aminophenyl)acetate;3-Aminophenylacetic acid methyl ester;Methyl (3-aminophenyl)acetate;MFCD07366754;Methyl3-Aminophenylacetate;3-Amino-benzeneacetic acid methyl ester;(3-Amino-phenyl)-acetic acid methyl ester;Benzeneacetic acid, 3-amino-, methyl ester;methyl m-aminophenylacetate;methyl-3-aminophenylacetate;methyl 3-aminophenyl acetate;methyl 3-aminophenyl-acetate;methyl(3-aminophenyl)acetate;3-Methoxycarbonylmethylaniline;SCHEMBL907660;DTXSID20516592;BVKGNQRDVFGNIW-UHFFFAOYSA-N;CL8810;AKOS000299657;AC-7206;AM84166;CS-W004989;SB76173;(3-aminophenyl)acetic acid methyl ester;SY005119;TS-02218;FT-0687104;EN300-82363;A22014;J-511715

Chemical Property of Methyl 3-aminophenylacetate

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 281.6°Cat760mmHg
• PKA: 4.17±0.10(Predicted)
• Flash Point: 140.5°C
• PSA: 52.32000
• Density: 1.143g/cm³
• LogP: 1.56550
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-aminophenylacetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC(=CC=C1)N

Technology Process of Methyl 3-aminophenylacetate

There total 9 articles about Methyl 3-aminophenylacetate 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: 92.0%

3-amino phenylacetic acid (14338-36-4) → (3-amino-phenyl)-acetic acid methyl ester (52913-11-8)

Guidance literature:

With sulfuric acid; In methanol; for 48h; Heating / reflux;

Reference yield: 91.5%

methyl 3-nitrophenylacetate (10268-12-9) → (3-amino-phenyl)-acetic acid methyl ester (52913-11-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 16h;

Reference yield: 87.0%

methanol (67-56-1) + 3-amino phenylacetic acid (14338-36-4) → (3-amino-phenyl)-acetic acid methyl ester (52913-11-8)

Guidance literature:

With thionyl chloride; for 2h; Heating / reflux;

upstream raw materials:

methanol

3-amino phenylacetic acid

methyl 3-nitrophenylacetate

pyrographite

Downstream raw materials:

2-(3-aminophenyl)acetic acid amide

[3-(3,3-Dimethyl-ureido)-phenyl]-acetic acid methyl ester

phenylacetic acid

3-ethylthiophenylacetic acid