2-(Phenylamino)propanoic acid

Base Information

• Chemical Name: 2-(Phenylamino)propanoic acid
• CAS No.: 15727-49-8
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2922499990
• European Community (EC) Number: 840-266-2
• DSSTox Substance ID: DTXSID00375129
• Nikkaji Number: J2.025.467J
• ChEMBL ID: CHEMBL1993242
• Mol file: 15727-49-8.mol

Synonyms:2-(phenylamino)propanoic acid;15727-49-8;2-anilinopropanoic acid;2-Phenylamino propionic acid;2-Phenylamino-propionic acid;L-Alanine, N-phenyl-;Phenylaminopropionsaure;2-Phenylaminopropanoic acid;2-Phenylaminopropionic acid;2-(phenylamino)propanoicacid;SCHEMBL33927;CHEMBL1993242;DTXSID00375129;XWKAVQKJQBISOL-UHFFFAOYSA-N;HMS1731B19;MFCD01940323;AKOS000101754;LS-192484;CS-0154979;2-(Phenylamino)propanoic acid (Ph-DL-Ala-OH);D82882;EN300-234127;MLS-0463335.0001;Z57982184

Chemical Property of 2-(Phenylamino)propanoic acid

Chemical Property:

• PSA: 49.33000
• LogP: 1.64460
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

98%Min ^*data from raw suppliers

2-(Phenylamino)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)NC1=CC=CC=C1

Technology Process of 2-(Phenylamino)propanoic acid

There total 26 articles about 2-(Phenylamino)propanoic 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%

methyl N-(2, 6-dimethylphenyl)alaninate (709-80-8) → N-Phenylalanin (15727-49-8)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

Reference yield: 90.0%

iodobenzene (591-50-4) + rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → N-Phenylalanin (15727-49-8)

Guidance literature:

With 2Na⁽¹⁺⁾*CuC₆H₄(NCHC₆H₃OO₃S)2^(2-)=CuC₆H₄(NCHC₆H₃ONaO₃S)2; sodium hydroxide; In water; at 120 ℃; for 20h;

DOI:10.1002/ejoc.201000840

Reference yield: 90.0%

chlorobenzene (108-90-7) + rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → N-Phenylalanin (15727-49-8)

Guidance literature:

With di-tert-butyl{2′-isopropoxy-[1,1′-binaphthalen]-2-yl}phosphane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; In tert-butyl alcohol; at 90 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tet.2011.09.109

upstream raw materials:

2-(phenylamino)propanamide

aniline

Ethyl 2-bromopropionate

ethyl 2-phenylaminopropionate

Downstream raw materials:

acetic acid

methylammonium carbonate

aniline

Azobenzene

Refernces

• 1、 -. "Method for synthesizing 1,2,3,4-tetrahydroquinoline compounds in mode that decarboxylation of amino acid is catalyzed by visible light". . . Retrieved 2018/05/30.
• 2、 Plougastel, Lucie,Koniev, Oleksandr,Specklin, Simon,Decuypere, Elodie,Créminon, Christophe,Buisson, David-Alexandre,Wagner, Alain,Kolodych, Sergii,Taran, Frédéric. "4-Halogeno-sydnones for fast strain promoted cycloaddition with bicyclo-[6.1.0]-nonyne". supporting information. p. 9376 - 9378. Retrieved 2014/08/05.