(S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide

Base Information

• Chemical Name: (S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide
• CAS No.: 77471-41-1
• Molecular Formula: C13H14 N2 O3
• Molecular Weight: 246.266
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID20350913
• Nikkaji Number: J307.948A
• Wikidata: Q72436948
• Mol file: 77471-41-1.mol

Synonyms:77471-41-1;(S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide;H-ALA-AMC;(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)propanamide;(2S)-2-Amino-N-(4-methyl-2-oxo-chromen-7-yl)propanamide;l-alanine-7-amido-4-methylcoumarin;MFCD00077086;L-Ala-7-Amido-4-methylcoumarin;SCHEMBL3275292;DTXSID20350913;BBL102380;STL556182;AKOS015893080;MS-20428;CS-0372839;A865231;N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-alaninamide;N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)-L-alaninamide;(2S)-2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)propanamide;(2S)-2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-Propanamide;Propanamide,2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(2S)-

Chemical Property of (S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide

Chemical Property:

• PSA: 85.33000
• Density: 1.304
• LogP: 2.16040
• Storage Temp.: -15°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 246.10044231
• Heavy Atom Count: 18
• Complexity: 392

Purity/Quality:

98.5% ^*data from raw suppliers

H-Ala-amc ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(C)N
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](C)N

Technology Process of (S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide

There total 2 articles about (S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide 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:

Fmoc-Ala-MCA → L-alanine-4-methylcoumaryl-7-amide (77471-41-1)

Guidance literature:

With piperidine; In N,N-dimethyl-formamide; for 2h;

DOI:10.1271/bbb.60208

Reference yield:

7-amino-4-methylcoumarin. (26093-31-2) → L-alanine-4-methylcoumaryl-7-amide (77471-41-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N'-dicyclohexyl carbodiimide / CH₂Cl₂

2: piperidine / dimethylformamide / 2 h

With piperidine; dicyclohexyl-carbodiimide; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1271/bbb.60208

Reference yield:

L-alanine-4-methylcoumaryl-7-amide (77471-41-1) → 7-amino-4-methylcoumarin. (26093-31-2) + L-alanin (56-41-7,25191-17-7,18875-37-1)

Guidance literature:

With Toxoplasma gondii M₁₇ leucine aminopeptidase apoenzyme; water; at 37 ℃; Kinetics;

DOI:10.1016/j.molbiopara.2009.11.005

upstream raw materials:

7-amino-4-methylcoumarin.

Downstream raw materials:

7-amino-4-methylcoumarin.

L-alanin

Refernces

• 1、 Onitsuka, Eiichiro,Okumura, Tomoyuki,Murakami, Hiroshi,Nishino, Norikazu,Morimatsu, Fumiki. "A judgment on postmortem aging in Longissimus dorsi based on a peptide substrate library". . p. 2836 - 2843. Retrieved 2007/10/03.