2(s)-Amino-n-cyanomethyl-3-phenylpropionamide

Base Information

Chemical Name:2(s)-Amino-n-cyanomethyl-3-phenylpropionamide
CAS No.:710350-64-4
Molecular Formula:C₁₁H₁₃N₃O
Molecular Weight:203.244
Hs Code.:
DSSTox Substance ID:DTXSID301245684
ChEMBL ID:CHEMBL3805125

Synonyms:CHEMBL3805125;710350-64-4;SCHEMBL5456972;RSDWJDSKILEPIW-JTQLQIEISA-N;DTXSID301245684;BDBM50168949;AKOS010502754;2(s)-amino-n-cyanomethyl-3-phenylpropionamide;(alphaS)-alpha-Amino-N-(cyanomethyl)benzenepropanamide

Suppliers and Price of 2(s)-Amino-n-cyanomethyl-3-phenylpropionamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2(s)-Amino-n-cyanomethyl-3-phenylpropionamide

Chemical Property:

XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:203.105862047
Heavy Atom Count:15
Complexity:250

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC(C(=O)NCC#N)N
Isomeric SMILES:C1=CC=C(C=C1)C[C@@H](C(=O)NCC#N)N

Technology Process of 2(s)-Amino-n-cyanomethyl-3-phenylpropionamide

There total 5 articles about 2(s)-Amino-n-cyanomethyl-3-phenylpropionamide 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%

: 109924-24-5
tert-butyl-(1-((cyanomethyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate

: 710350-64-4
L-phenylalanyl-glycine-nitrile

Guidance literature:: With trifluoroacetic acid; In tetrahydrofuran; water; at 0 - 20 ℃; for 2h;
DOI:10.1016/j.bmc.2014.06.001

Reference yield:

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 710350-64-4
L-phenylalanyl-glycine-nitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: isobutyl chloroformate; N-methylmorpholine / tetrahydrofuran / -25 °C

1.2: 59 percent / aq. NaOH / tetrahydrofuran / 2 h / -25 - 20 °C

2.1: HCOOH / 6 h / 20 °C

With 4-methyl-morpholine; formic acid; isobutyl chloroformate; In tetrahydrofuran;
DOI:10.1021/jm050686b

Reference yield:

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 710350-64-4
L-phenylalanyl-glycine-nitrile

Guidance literature:: Multi-step reaction with 2 steps

1: HOBT; EDCI; N-methylmorpholine / CH₂Cl₂ / 16 h / 20 °C

2: HCOOH / 6 h / 20 °C

With 4-methyl-morpholine; formic acid; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane;
DOI:10.1021/jm010206q