Carbamic acid, (2-bromo-4-chloro-1-oxobutyl)-, phenylmethyl ester

Base Information

• Chemical Name: Carbamic acid, (2-bromo-4-chloro-1-oxobutyl)-, phenylmethyl ester
• CAS No.: 647013-62-5
• Molecular Formula: C12H13BrClNO3
• Molecular Weight: 334.597
• DSSTox Substance ID: DTXSID80463553
• Nikkaji Number: J1.978.797D
• Mol file: 647013-62-5.mol

Synonyms:647013-62-5;Carbamic acid, (2-bromo-4-chloro-1-oxobutyl)-, phenylmethyl ester;DTXSID80463553

Chemical Property of Carbamic acid, (2-bromo-4-chloro-1-oxobutyl)-, phenylmethyl ester

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 332.97673
• Heavy Atom Count: 18
• Complexity: 283

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(=O)C(CCCl)Br

Technology Process of Carbamic acid, (2-bromo-4-chloro-1-oxobutyl)-, phenylmethyl ester

There total 1 articles about Carbamic acid, (2-bromo-4-chloro-1-oxobutyl)-, phenylmethyl ester 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:

benzyl alcohol (100-51-6,185532-71-2) + 2-bromo-4-chloro-butyryl isocyanate → benzyl 2-bromo-4-chlorobutanoylcarbamate (647013-62-5)

Guidance literature:

In toluene;

DOI:10.1016/S0957-4166(03)00546-9

Reference yield: 47.0%

benzyl 2-bromo-4-chlorobutanoylcarbamate (647013-62-5) → benzyl 2-azido-4-chlorobutanoylcarbamate

Guidance literature:

With sodium azide; benzyl tri-n-butylammonium bromide; sodium hydrogencarbonate; In water; ethyl acetate; at 20 ℃; for 5h;

DOI:10.1016/S0957-4166(03)00546-9

Reference yield: 42.0%

benzyl 2-bromo-4-chlorobutanoylcarbamate (647013-62-5) → benzyl 3-bromo-2-oxopyrrolidine-1-carboxylate

Guidance literature:

With benzyl tri-n-butylammonium bromide; sodium carbonate; In water; ethyl acetate; at 50 ℃; for 1.5h;

DOI:10.1016/S0957-4166(03)00546-9

upstream raw materials:

benzyl alcohol

Downstream raw materials:

benzyl 3-azido-2-oxopyrrolidine-1-carboxylate

benzyl (3S)-3-amino-2-oxopyrrolidine-1-carboxylate