Ethyl 4-amino-3-methylbenzoate

Base Information

• Chemical Name: Ethyl 4-amino-3-methylbenzoate
• CAS No.: 40800-65-5
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• European Community (EC) Number: 674-746-6
• NSC Number: 136731
• DSSTox Substance ID: DTXSID70300408
• Nikkaji Number: J2.870.811D
• Wikidata: Q72472446
• Mol file: 40800-65-5.mol

Synonyms:ethyl 4-amino-3-methylbenzoate;40800-65-5;Ethyl4-amino-3-methylbenzoate;benzoic acid, 4-amino-3-methyl-, ethyl ester;NSC136731;SCHEMBL868290;ethyl-4-amino-3-methylbenzoate;DTXSID70300408;JUKRQDBAJXYXIR-UHFFFAOYSA-N;BCP24543;MFCD03788450;STK825992;AKOS000430913;AC-4484;AS-8502;NSC-136731;4-Amino-3-methylbenzoic acid ethyl ester;4-amino-3-methyl-benzoic acid ethyl ester;CS-0151763;FT-0652340;EN300-99651;W10053

Chemical Property of Ethyl 4-amino-3-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.000207mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 327.039 °C at 760 mmHg
• Flash Point: 177.203 °C
• PSA: 52.32000
• Density: 1.104 g/cm³
• LogP: 2.33510
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-amino-3-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=C(C=C1)N)C

Technology Process of Ethyl 4-amino-3-methylbenzoate

There total 6 articles about Ethyl 4-amino-3-methylbenzoate 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: 99.0%

ethanol (64-17-5) + 4-amino 3-methylbenzoic acid (2486-70-6) → 1-amino-2-methylbenzene-4-carboxylic acid ethyl ester (40800-65-5)

Guidance literature:

With sulfuric acid; for 3h; Reflux;

Reference yield: 93.0%

3-methyl-4-nitro-benzoic acid ethyl ester (30650-90-9) → 1-amino-2-methylbenzene-4-carboxylic acid ethyl ester (40800-65-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 168h; under 760.051 Torr; Darkness;

DOI:10.1002/ejoc.201000086

Reference yield: 87.0%

→ 1-amino-2-methylbenzene-4-carboxylic acid ethyl ester (40800-65-5)

Guidance literature:

upstream raw materials:

3-methyl-4-nitro-benzoic acid ethyl ester

4-amino 3-methylbenzoic acid

ethanol

3-methyl-4-nitrobenzoic acid

Downstream raw materials:

Essigsaeure-<4-acetamido-3-methyl-benzylester>

1H-indazole-5-carboxylic acid ethyl ester

ethyl 1-acetyl-1H-indazole-5-carboxylatee

ethyl 1-methyl-1H-indazole-5-carboxylate

Refernces

• 1、 Ahmed, Md Estak,Dey, Subal,Darensbourg, Marcetta Y.,Dey, Abhishek. "Oxygen-Tolerant H2 Production by [FeFe]-H2ase Active Site Mimics Aided by Second Sphere Proton Shuttle". supporting information. p. 12457 - 12468. Retrieved 2018/09/27.
• 2、 -. "HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR". Paragraph 0280; 0281; 0282; 0283. . Retrieved 2013/04/10.