Carbamic acid, 4-bromophenyl-, propyl ester

Base Information

• Chemical Name: Carbamic acid, 4-bromophenyl-, propyl ester
• CAS No.: 25203-35-4
• Molecular Formula: C10H12BrNO2
• Molecular Weight: 258.115
• DSSTox Substance ID: DTXSID60423716
• Wikidata: Q82235974
• Mol file: 25203-35-4.mol

Synonyms:25203-35-4;Carbamic acid, 4-bromophenyl-, propyl ester;Carbamic acid, (4-bromophenyl)-, propyl ester;SCHEMBL5865879;n-propyl 4-bromophenyl carbamate;DTXSID60423716;XBPGGGVAWQWYNT-UHFFFAOYSA-N;AKOS002936844

Chemical Property of Carbamic acid, 4-bromophenyl-, propyl ester

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 257.00514
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)NC1=CC=C(C=C1)Br

Technology Process of Carbamic acid, 4-bromophenyl-, propyl ester

There total 6 articles about Carbamic acid, 4-bromophenyl-, propyl 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: 93.0%

1-propyl carbamate (627-12-3) + 1,4-bromoiodobenzene (589-87-7) → 1-propyl (4-bromophenyl)carbamate (25203-35-4)

Guidance literature:

With sodium t-butanolate; In toluene; at 100 ℃; for 3h; chemoselective reaction;

DOI:10.1039/c9nj00028c

Reference yield: 93.0%

carbon dioxide (124-38-9,18923-20-1) + propyl bromide (106-94-5) + 4-bromo-aniline (106-40-1) → 1-propyl (4-bromophenyl)carbamate (25203-35-4)

Guidance literature:

With choline chloride * 2ZnCl₂; at 20 ℃; for 2h; under 760.051 Torr; Green chemistry;

DOI:10.1039/c9nj02810b

Reference yield: 89.0%

propan-1-ol (71-23-8) + N,N'-bis(p-bromophenyl)urea (6341-55-5) → 1-propyl (4-bromophenyl)carbamate (25203-35-4)

Guidance literature:

With choline chloride * 2ZnCl₂; In neat (no solvent); at 120 ℃; for 18h; Green chemistry;

DOI:10.1039/c8nj02624f

upstream raw materials:

propan-1-ol

p-bromobenzoyl azide

(1H-benzo[d][1,2,3]triazol-1-yl)(4-bromophenyl)methanone

1-propyl carbamate