Benzyl (3-chloro-3-oxopropyl)carbamate

Base Information

Chemical Name:Benzyl (3-chloro-3-oxopropyl)carbamate
CAS No.:51513-97-4
Molecular Formula:C11H12ClNO3
Molecular Weight:241.674
Hs Code.:
DSSTox Substance ID:DTXSID30538669
Wikidata:Q82414144
Mol file:51513-97-4.mol

Synonyms:51513-97-4;Benzyl (3-chloro-3-oxopropyl)carbamate;Z-beta-Ala-Cl;N-Cbz-beta-alanyl chloride;SCHEMBL9626361;DTXSID30538669;UGUNFSPZJHSINM-UHFFFAOYSA-N

Suppliers and Price of Benzyl (3-chloro-3-oxopropyl)carbamate

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 Benzyl (3-chloro-3-oxopropyl)carbamate

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:241.0505709
Heavy Atom Count:16
Complexity:239

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzyl (3-chloro-3-oxopropyl)carbamate

There total 4 articles about Benzyl (3-chloro-3-oxopropyl)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: 99.0%

: 2304-94-1
3-(benzyloxycarbonylamino)propanoic acid

: 51513-97-4
N-[(phenylmethoxy)carbonyl]-β-alanine chloride

Guidance literature:: With oxalyl dichloride; In dichloromethane; at 25 ℃; for 4h;
DOI:10.1016/j.bmc.2005.09.067

Reference yield:

: 2304-94-1
3-(benzyloxycarbonylamino)propanoic acid

: 51513-97-4
N-[(phenylmethoxy)carbonyl]-β-alanine chloride

Guidance literature:: With thionyl chloride; at 50 ℃;
DOI:10.1021/ja01288a039

Reference yield:

: 501-53-1,94274-21-2
benzyl chloroformate

: 51513-97-4
N-[(phenylmethoxy)carbonyl]-β-alanine chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / aq. NaOH / 0 - 20 °C

2: thionyl chloride / CH₂Cl₂; dimethylformamide / 4 h / Heating

With sodium hydroxide; thionyl chloride; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4020(01)00540-3