3-(Formylamino)-3-phenylpropanoic acid

Base Information

• Chemical Name: 3-(Formylamino)-3-phenylpropanoic acid
• CAS No.: 126575-05-1
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• DSSTox Substance ID: DTXSID60564451
• Mol file: 126575-05-1.mol

Synonyms:3-(formylamino)-3-phenylpropanoic acid;126575-05-1;3-formamido-3-phenylpropanoic acid;3-formamido-3-phenyl-propanoic acid;Benzenepropanoic acid, beta-(formylamino)-;SCHEMBL4800772;DTXSID60564451;FHCPDHZTKQFWKO-UHFFFAOYSA-N;3-(formylamino)-3-phenylpropanoicacid;AKOS010388601;AS-64306;(+/-)-3-formylamino-3-phenylpropanoic acid;CS-0338110;D95630;A805569

Chemical Property of 3-(Formylamino)-3-phenylpropanoic acid

Chemical Property:

• Melting Point: 128-129℃ (water )
• Boiling Point: 444.516 °C at 760 mmHg
• Flash Point: 222.635 °C
• PSA: 69.89000
• Density: 1.232 g/cm³
• LogP: 1.78870
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

3-(formylamino)-3-phenylpropanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Formylamino)-3-phenylpropanoic acid

There total 3 articles about 3-(Formylamino)-3-phenylpropanoic 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: 91.0%

formic acid (64-18-6) + 3-Amino-3-phenylpropionic acid (3646-50-2) → DL-3-(N-formylamino)-3-phenylpropionic acid (126575-05-1)

Guidance literature:

With acetic anhydride; at 10 - 20 ℃; for 2h;

Reference yield: 51.0%

(RS)-2-phenyl-2,3-dihydro-1H-pyridin-4-one (126378-84-5) → 3-Amino-3-phenylpropionic acid (3646-50-2) + DL-3-(N-formylamino)-3-phenylpropionic acid (126575-05-1)

Guidance literature:

With sodium periodate; In methanol; water; at 20 ℃; for 2h;

DOI:10.1021/ol0485518

Reference yield:

→ DL-3-(N-formylamino)-3-phenylpropionic acid (126575-05-1)

Guidance literature:

(+-)-3-Amino-3-phenyl-propionsaeure, 95percentig. HCOOH, 100grad;

DOI:10.1021/ja01058a037

upstream raw materials:

formic acid

3-Amino-3-phenylpropionic acid

(RS)-2-phenyl-2,3-dihydro-1H-pyridin-4-one

Downstream raw materials:

(3R)-N-benzyloxycarbonyl-3-amino-3-phenylpropanoic acid

(3S)-N-(benzyloxycarbonyl)-3-amino-3-phenylpropanoic acid

D-3-(N-formylamino)-3-phenylpropionic acid

L-3-(N-formylamino)-3-phenylpropionic acid

Refernces

• 1、 -. "PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-PHENYLALANINE DERIVATIVES". Page 9. . Retrieved 2008/06/13.
• 2、 Reed,Katzenellenbogen. "β-substituted β-phenylpropionyl chymotrypsins. Structural and stereochemical features in stable acyl enzymes". . p. 1162 - 1176. Retrieved 2007/10/02.