Benzyl (2-chloro-2-oxo-1-phenylethyl)carbamate

Base Information

Chemical Name:Benzyl (2-chloro-2-oxo-1-phenylethyl)carbamate
CAS No.:61464-95-7
Molecular Formula:C16H14ClNO3
Molecular Weight:303.74000
Hs Code.:
DSSTox Substance ID:DTXSID60553901

Synonyms:61464-95-7;Benzyl (2-chloro-2-oxo-1-phenylethyl)carbamate;DTXSID60553901

Suppliers and Price of Benzyl (2-chloro-2-oxo-1-phenylethyl)carbamate

Supply Marketing:

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

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Chemical Property of Benzyl (2-chloro-2-oxo-1-phenylethyl)carbamate

Chemical Property:

PSA：58.89000
LogP:3.62390
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:303.0662210
Heavy Atom Count:21
Complexity:349

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)Cl

Technology Process of Benzyl (2-chloro-2-oxo-1-phenylethyl)carbamate

There total 1 articles about Benzyl (2-chloro-2-oxo-1-phenylethyl)carbamate 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:

: 5491-18-9
2-(benzyloxycarbonylamino)-2-phenylacetic acid

: 61464-95-7
(Chlorocarbonyl-phenyl-methyl)-carbamic acid benzyl ester

Guidance literature:: With thionyl chloride; In N,N,N,N,N,N-hexamethylphosphoric triamide; at -5 ℃; for 0.166667h;
DOI:10.1021/jm00133a006

Reference yield: 95.0%

: 61464-95-7
(Chlorocarbonyl-phenyl-methyl)-carbamic acid benzyl ester

: 89-77-0
2-Amino-4-chlorobenzoic acid

: 350238-17-4
2-(2-benzyloxycarbonylamino-2-phenyl-acetylamino)-4-chloro-benzoic acid

Guidance literature:: In tetrahydrofuran;
DOI:10.1016/S0040-4039(01)00402-6

Reference yield:

: 61464-95-7
(Chlorocarbonyl-phenyl-methyl)-carbamic acid benzyl ester

: (8-chloro-2-oxo-3-phenyl-1,2-dihydro-benzo[e][1,4]diazepin-5-ylidene)-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: 95 percent / tetrahydrofuran

2: 75 percent / Ac₂O

3: 87 percent / MgCl₂; Et₃N / acetonitrile

4: HBr; AcOH / CH₂Cl₂

5: AcOH

6: 60 percent / MnO₂ / toluene

With manganese(IV) oxide; hydrogen bromide; acetic anhydride; acetic acid; triethylamine; magnesium chloride; In tetrahydrofuran; dichloromethane; toluene; acetonitrile;
DOI:10.1016/S0040-4039(01)00402-6