Methyl 3-(4-aminophenyl)propanoate

Base Information

• Chemical Name: Methyl 3-(4-aminophenyl)propanoate
• CAS No.: 35418-07-6
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• European Community (EC) Number: 818-128-8
• DSSTox Substance ID: DTXSID60329103
• Nikkaji Number: J656.084I
• Wikidata: Q82092151
• ChEMBL ID: CHEMBL2252083
• Mol file: 35418-07-6.mol

Synonyms:methyl 3-(4-aminophenyl)propanoate;35418-07-6;methyl 3-(4-aminophenyl)propionate;methyl 3-[4-aminophenyl]propionate;NCIOpen2_006207;Oprea1_504928;SCHEMBL223653;CHEMBL2252083;DTXSID60329103;methyl3-(4-aminophenyl)propanoate;BBL028749;MFCD00546554;STL253577;4-Aminohydrocinnamic acid methyl ester;AKOS009290405;BS-13850;CS-0091630;FT-0696135;EN300-69034;3-(4-amino-phenyl)propionic acid methyl ester;C74823;3-(4-amino-phenyl)-propanoic acid methyl ester;3-(4-amino-phenyl)-propionic acid methyl ester;Z802847350

Chemical Property of Methyl 3-(4-aminophenyl)propanoate

Chemical Property:

• PSA: 52.32000
• LogP: 1.95560
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

Methyl3-(4-aminophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1=CC=C(C=C1)N

Technology Process of Methyl 3-(4-aminophenyl)propanoate

There total 19 articles about Methyl 3-(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: 99.0%

methanol (67-56-1) + 3-(4-aminophenyl)propionic acid (2393-17-1) → methyl 3-(4-aminophenyl)propionate (35418-07-6)

Guidance literature:

With thionyl chloride; at 20 ℃; Cooling with ice;

DOI:10.1021/jm101405t

Reference yield: 96.0%

→ methyl 3-(4-aminophenyl)propionate (35418-07-6)

Guidance literature:

Reference yield: 95.7%

methyl 3-(4-nitrophenyl)propanoate (54405-42-4) → methyl 3-(4-aminophenyl)propionate (35418-07-6)

Guidance literature:

methyl 3-(4-nitrophenyl)propanoate; With ethyl acetate; In methanol; for 0.166667h;

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2019.126683

upstream raw materials:

methyl 4-nitrocinnamate

3-(4-aminophenyl)propionic acid

diazomethane

methanol

Downstream raw materials:

methyl 3-(4-(phenylamino)phenyl)propanoate

methyl 3-(4-(tert-butoxycarbonyl(phenyl)amino)phenyl)propanoate

3-(4-(tert-butoxycarbonyl(phenyl)amino)phenyl)propanoic acid

tert-butyl 4-(3-oxo-3-(5-(pyridin-2-yl)oxazol-2-yl)propyl)phenyl(phenyl)carbamate

Refernces

• 1、 -. "NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION". Paragraph 0183. . Retrieved 2021/03/18.
• 2、 Takemoto, Yasushi,Kadota, Shin,Minami, Itsunari,Otsuka, Shinya,Okuda, Satoshi,Abo, Masahiro,Punzalan, Louvy Lynn,Shen, Yan,Shiba, Yuji,Uesugi, Motonari. "Chemical Genetics Reveals a Role of Squalene Synthase in TGFβ Signaling and Cardiomyogenesis". supporting information. p. 21824 - 21831. Retrieved 2021/08/30.