Phenylmethyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate

Base Information

Chemical Name:Phenylmethyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate
CAS No.:82594-35-2
Molecular Formula:C₁₃H₁₈N₂O₃
Molecular Weight:250.298
Hs Code.:
DSSTox Substance ID:DTXSID701197564

Synonyms:Phenylmethyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;DTXSID701197564;82594-35-2

Suppliers and Price of Phenylmethyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Phenylmethyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate

Chemical Property:

XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:250.13174244
Heavy Atom Count:18
Complexity:275

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CNC(=O)C(CCC(=O)OCC1=CC=CC=C1)N
Isomeric SMILES:CNC(=O)[C@H](CCC(=O)OCC1=CC=CC=C1)N

Technology Process of Phenylmethyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate

There total 2 articles about Phenylmethyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate 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:

: 13574-13-5
Boc-Glu(OBzl)-OH

: 82594-35-2
(S)-4-Amino-4-methylcarbamoyl-butyric acid benzyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N / tetrahydrofuran / 0.03 h / 0 °C

2: tetrahydrofuran; methanol / 2 h / 0 - 20 °C

3: 4 N HCl / dioxane / 0.5 h / Ambient temperature

With hydrogenchloride; triethylamine; In tetrahydrofuran; 1,4-dioxane; methanol;
DOI:10.1021/jm970262k

Reference yield:

: 147471-66-7
(S)-4-tert-Butoxycarbonylamino-5-ethoxycarbonyloxy-5-oxo-pentanoic acid benzyl ester

: 82594-35-2
(S)-4-Amino-4-methylcarbamoyl-butyric acid benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran; methanol / 2 h / 0 - 20 °C

2: 4 N HCl / dioxane / 0.5 h / Ambient temperature

With hydrogenchloride; In tetrahydrofuran; 1,4-dioxane; methanol;
DOI:10.1021/jm970262k

Reference yield:

: 3262-72-4,3850-40-6,6368-20-3,90582-28-8,84311-18-2
(R)-N-tert-butoxycarbonyl serine

: 82594-35-2
(S)-4-Amino-4-methylcarbamoyl-butyric acid benzyl ester

: 190586-78-8
N-tert-butoxycarbonyl-D-seryl-L-glutamic acid 1-methylamide 5-benzyl ester

Guidance literature:: With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In N,N-dimethyl-formamide; for 18h; Yield given; Ambient temperature;
DOI:10.1021/jm970262k