Tert-butyl (4-(bromomethyl)-3-chlorophenyl)carbamate

Base Information

• Chemical Name: Tert-butyl (4-(bromomethyl)-3-chlorophenyl)carbamate
• CAS No.: 100282-50-6
• Molecular Formula: C₁₂H₁₅BrClNO₂
• Molecular Weight: 320.614
• DSSTox Substance ID: DTXSID201146366
• Mol file: 100282-50-6.mol

Synonyms:100282-50-6;TERT-BUTYL (4-(BROMOMETHYL)-3-CHLOROPHENYL)CARBAMATE;Carbamic acid, [4-(bromomethyl)-3-chlorophenyl]-, 1,1-dimethylethyl ester;SCHEMBL7366510;DTXSID201146366;AT33429;EN300-1898681;tert-butyl N-[4-(bromomethyl)-3-chlorophenyl]carbamate

Chemical Property of Tert-butyl (4-(bromomethyl)-3-chlorophenyl)carbamate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 318.99747
• Heavy Atom Count: 17
• Complexity: 268

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC(=C(C=C1)CBr)Cl

Technology Process of Tert-butyl (4-(bromomethyl)-3-chlorophenyl)carbamate

There total 3 articles about Tert-butyl (4-(bromomethyl)-3-chlorophenyl)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:

1,1-dimethylethyl (3-chloro-4-methylphenyl)carbamate (100282-49-3) → (4-bromomethyl-3-chloro-phenyl)-carbamic acid tert-butyl ester (100282-50-6)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane;

DOI:10.1016/j.bmcl.2005.06.009

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → (4-bromomethyl-3-chloro-phenyl)-carbamic acid tert-butyl ester (100282-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran

2: NBS; AIBN / CCl₄

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrahydrofuran; tetrachloromethane;

DOI:10.1016/j.bmcl.2005.06.009

Reference yield:

3-chloro-p-toluidine (95-74-9,827571-80-2) → (4-bromomethyl-3-chloro-phenyl)-carbamic acid tert-butyl ester (100282-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran

2: NBS; AIBN / CCl₄

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrahydrofuran; tetrachloromethane;

DOI:10.1016/j.bmcl.2005.06.009

upstream raw materials:

1,1-dimethylethyl (3-chloro-4-methylphenyl)carbamate

di-tert-butyl dicarbonate

3-chloro-p-toluidine

Downstream raw materials:

N-(4-azidomethyl-3-chloro-phenyl)-methanesulfonamide

N-(4-(aminomethyl)-3-chlorophenyl)methanesulfonamide

(4-azidomethyl-3-chloro-phenyl)-carbamic acid tert-butyl ester