phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Base Information

Chemical Name:phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CAS No.:6479-48-7
Molecular Formula:C₂₁H₂₃NO₅
Molecular Weight:369.417
Hs Code.:
DSSTox Substance ID:DTXSID901331457
ChEMBL ID:CHEMBL1704477

Synonyms:MLS002249023;CHEMBL1704477;DTXSID901331457;HMS3048K18;phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate;AKOS034826346;NCGC00320108-01;SMR001316477;AB00944458-06;SR-01000040590;SR-01000040590-1;Z56895439;6479-48-7

Suppliers and Price of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:369.15762283
Heavy Atom Count:27
Complexity:493

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
Isomeric SMILES:CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Technology Process of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

There total 1 articles about phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate 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:

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

: 70-11-1
α-bromoacetophenone

: 6479-48-7
N-Benzyloxycarbonyl-L-valin-phenacylester

Guidance literature:: With triethylamine;
DOI:10.1039/j39660001191

Reference yield:

: 6479-48-7
N-Benzyloxycarbonyl-L-valin-phenacylester

: L-Valyl-L-valin-phenacylester

Guidance literature:: Multi-step reaction with 3 steps

1: aq. HBr, AcOH

2: DCC

3: CF₃CO₂H, HCl / diethyl ether

With hydrogenchloride; hydrogen bromide; acetic acid; dicyclohexyl-carbodiimide; trifluoroacetic acid; In diethyl ether;
DOI:10.1039/j39660001191