Benzyl 2-bromobenzylcarbamate

Base Information

• Chemical Name: Benzyl 2-bromobenzylcarbamate
• CAS No.: 887591-90-4
• Molecular Formula: C15H14BrNO2
• Molecular Weight: 320.18
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20596677
• Wikidata: Q82491990
• Mol file: 887591-90-4.mol

Synonyms:benzyl 2-bromobenzylcarbamate;887591-90-4;BENZYL N-[(2-BROMOPHENYL)METHYL]CARBAMATE;Benzyl (2-bromobenzyl)carbamate;Benzyl2-bromobenzylcarbamate;SCHEMBL8583106;DTXSID20596677;AKOS016845072;AB25540;Benzyl [(2-bromophenyl)methyl]carbamate;(2-Bromobenzyl)carbaMic acid benzyl ester;DB-286068;CS-0265966;EN300-7039767;J-519774

Chemical Property of Benzyl 2-bromobenzylcarbamate

Chemical Property:

• PSA: 41.82000
• LogP: 4.07990
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 319.02079
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

98%min ^*data from raw suppliers

BENZYL-2-BROMOBENZYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCC2=CC=CC=C2Br

Technology Process of Benzyl 2-bromobenzylcarbamate

There total 2 articles about Benzyl 2-bromobenzylcarbamate 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: 92.0%

O-benzyl carbamate (621-84-1) + ortho-bromobenzaldehyde (6630-33-7) → benzyl 2-bromobenzylcarbamate (887591-90-4)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In acetonitrile; at 25 ℃; for 18h;

DOI:10.1021/jo801761f

Reference yield:

2-bromobenzylamine (3959-05-5) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl 2-bromobenzylcarbamate (887591-90-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/acs.orglett.8b00797

Reference yield: 90.0%

benzyl 2-bromobenzylcarbamate (887591-90-4) + 1-bromo-2-(triisopropylsilyl)acetylene (111409-79-1) → C26H34BrNO2Si

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; caesium carbonate; Trimethylacetic acid; In cyclohexane; at 80 ℃; Sealed tube;

DOI:10.1021/acs.orglett.8b00797

upstream raw materials:

O-benzyl carbamate

ortho-bromobenzaldehyde

2-bromobenzylamine

benzyl chloroformate

Downstream raw materials:

2-((benzyloxycarbonylamino)methyl)phenylboronic acid