Methyl 2-(4-aminophenyl)propanoate

Base Information

• Chemical Name: Methyl 2-(4-aminophenyl)propanoate
• CAS No.: 39718-97-3
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• European Community (EC) Number: 254-605-1
• DSSTox Substance ID: DTXSID60960318
• Nikkaji Number: J261.436G
• Mol file: 39718-97-3.mol

Synonyms:methyl 2-(4-aminophenyl)propanoate;39718-97-3;Methyl 2-(4-aminophenyl)propionate;methyl 2-(4-aminophenyl)propionate;EINECS 254-605-1;methyl 4-aminophenylpropionate;SCHEMBL2170893;DTXSID60960318;JSQLPIGKVBUMBF-UHFFFAOYSA-N;methyl2-(4-aminophenyl)propanoate;MFCD07787436;AS-10215;CS-0091628;2-(4-aminophenyl)-propionic acid methyl ester;EN300-253652;2-(4-amino-phenyl)-propionic acid methyl ester;4-Amino-alpha-methylbenzeneacetic acid methyl ester

Chemical Property of Methyl 2-(4-aminophenyl)propanoate

Chemical Property:

• Vapor Pressure: 0.00244mmHg at 25°C
• Boiling Point: 287.7°Cat760mmHg
• Flash Point: 145.6°C
• PSA: 52.32000
• Density: 1.107g/cm³
• LogP: 2.12650
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

NLT 98% ^*data from raw suppliers

methyl2-(4-aminophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(4-aminophenyl)propanoate

There total 11 articles about Methyl 2-(4-aminophenyl)propanoate 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%

methyl 2-(4-nitrobenzene)propionate (50415-69-5) → methyl 2-(4-aminophenyl)propanoate (39718-97-3)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; at 20 ℃;

DOI:10.1016/j.ejmech.2015.12.036

Reference yield: 65.0%

[1-methoxyprop-1-enyloxy]trimethylsilane (34880-70-1) + 4-chloro-aniline (106-47-8) → methyl 2-(4-aminophenyl)propanoate (39718-97-3)

Guidance literature:

With triethylamine; In acetonitrile; for 3h; Irradiation;

DOI:10.1021/jo034375p

Reference yield:

2-(4-nitrophenyl)propanoic acid (19910-33-9) → methyl 2-(4-aminophenyl)propanoate (39718-97-3)

Guidance literature:

Multi-step reaction with 2 steps

1: concd. H₂SO₄ / 3 h / Heating

2: 94 percent / H₂ / 5percent Pd/C / ethanol / 760 Torr

With sulfuric acid; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00356a019

upstream raw materials:

methyl 2-(4-nitrobenzene)propionate

[1-methoxyprop-1-enyloxy]trimethylsilane

4-chloro-aniline

2-(4-nitrophenyl)propanoic acid

Downstream raw materials:

methyl 4-isothiocyanatophenyl-α-methyl acetate

1-[4-(2-methoxy-1-methyl-2-oxoethyl)phenyl]-5-oxoproline

2-[4-(3-chloro-propane-1-sulfonylamino)-phenyl]-propionic acid methyl ester

2-(4-isocyanato-phenyl)-propionic acid methyl ester

Refernces

• 1、 Parisien-Collette, Shawn,Cruché, Corentin,Abel-Snape, Xavier,Collins, Shawn K.. "Photochemical intramolecular amination for the synthesis of heterocycles". supporting information. p. 4798 - 4803. Retrieved 2017/10/23.
• 2、 Migliore, Marco,Habrant, Damien,Sasso, Oscar,Albani, Clara,Bertozzi, Sine Mandrup,Armirotti, Andrea,Piomelli, Daniele,Scarpelli, Rita. "Potent multitarget FAAH-COX inhibitors: Design and structure-activity relationship studies". . p. 216 - 237. Retrieved 2016/01/16.