Carbamic acid, (2-bromophenyl)-, ethyl ester

Base Information

• Chemical Name: Carbamic acid, (2-bromophenyl)-, ethyl ester
• CAS No.: 104919-70-2
• Molecular Formula: C9H10BrNO2
• Molecular Weight: 244.088
• DSSTox Substance ID: DTXSID90400398
• Wikidata: Q82203354
• Mol file: 104919-70-2.mol

Synonyms:Carbamic acid, (2-bromophenyl)-, ethyl ester;104919-70-2;ethyl (2-bromophenyl)carbamate;SCHEMBL1188292;DTXSID90400398;2-bromo-1-ethoxycarbonylaminobenzene;STK490421;2-Bromophenylamine, N-ethoxycarbonyl-;AKOS000179014;(2-bromo-phenyl)-carbamic acid ethyl ester

Chemical Property of Carbamic acid, (2-bromophenyl)-, ethyl ester

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 242.98949
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)NC1=CC=CC=C1Br

Technology Process of Carbamic acid, (2-bromophenyl)-, ethyl ester

There total 2 articles about Carbamic acid, (2-bromophenyl)-, ethyl 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: 91.0%

N-carboethoxyaniline (101-99-5) → ethyl (2-bromophenyl)carbamate (104919-70-2)

Guidance literature:

With N-Bromosuccinimide; methanesulfonic acid; nickel(II) chloride hexahydrate; In water; at 20 ℃; for 5h; Reagent/catalyst; Solvent; Temperature; regioselective reaction; Sealed tube; Microwave irradiation; Green chemistry;

DOI:10.1055/s-0040-1705972

Reference yield: 87.0%

chloroformic acid ethyl ester (541-41-3) + 2-bromoaniline (615-36-1) → ethyl (2-bromophenyl)carbamate (104919-70-2)

Guidance literature:

With pyridine; at 20 ℃; for 5h;

DOI:10.1016/j.tetlet.2008.11.127

Reference yield: 86.0%

ethyl (2-bromophenyl)carbamate (104919-70-2) + trimethylsilylacetylene (1066-54-2) → ethyl N-[2-(trimethylsilylethynyl)phenyl]carbamate (104919-71-3)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 100 ℃; for 5h;

upstream raw materials:

chloroformic acid ethyl ester

2-bromoaniline

N-carboethoxyaniline

Downstream raw materials:

ethyl N-[(2-phenylethynyl)phenyl]carbamate

ethyl N-[2-(1-butynyl)phenyl]carbamate

ethyl N-[2-(trimethylsilylethynyl)phenyl]carbamate

ethyl 1H-indole-1-carboxylate