3-Bromo-2-chlorophenyl Diethylcarbamate

Base Information

• Chemical Name: 3-Bromo-2-chlorophenyl Diethylcarbamate
• CAS No.: 863870-81-9
• Molecular Formula: C11H13 Br Cl N O2
• Molecular Weight: 306.587
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID50461400
• Wikidata: Q82285728
• Mol file: 863870-81-9.mol

Synonyms:3-Bromo-2-chlorophenyl Diethylcarbamate;863870-81-9;(3-bromo-2-chlorophenyl) N,N-diethylcarbamate;3-BROMO-2-CHLOROPHENYL N,N-DIETHYLCARBAMATE;DTXSID50461400;AC7005;MFCD08166318;3-Bromo-2-chlorophenylDiethylcarbamate;SY027064;3-BROMO-2-CHLOROPHENYLN,N-DIETHYLCARBAMATE;A923213

Chemical Property of 3-Bromo-2-chlorophenyl Diethylcarbamate

Chemical Property:

• PSA: 29.54000
• LogP: 3.94310
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 304.98182
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-2-chlorophenyl diethylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)OC1=C(C(=CC=C1)Br)Cl

Technology Process of 3-Bromo-2-chlorophenyl Diethylcarbamate

There total 3 articles about 3-Bromo-2-chlorophenyl Diethylcarbamate 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-3-bromophenyl N,N-diethylcarbamate (863870-72-8) → O-3-bromo-2-chlorophenyl N,N-diethylcarbamate (863870-81-9)

Guidance literature:

O-3-bromophenyl N,N-diethylcarbamate; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With hexachloroethane; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/jo0508402

Reference yield:

3-Bromophenol (591-20-8) → O-3-bromo-2-chlorophenyl N,N-diethylcarbamate (863870-81-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran / 2 h / 20 °C

1.2: 91 percent / tetrahydrofuran / 8 h / 20 °C

2.1: LDA / tetrahydrofuran; hexane / 0.5 h / -78 °C

2.2: 92 percent / hexachloroethane / tetrahydrofuran; hexane / -78 - 20 °C

With sodium hydride; lithium diisopropyl amide; In tetrahydrofuran; hexane;

DOI:10.1021/jo0508402

Reference yield:

N,N-diethylcarbamyl chloride (88-10-8) → O-3-bromo-2-chlorophenyl N,N-diethylcarbamate (863870-81-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran / 2 h / 20 °C

1.2: 91 percent / tetrahydrofuran / 8 h / 20 °C

2.1: LDA / tetrahydrofuran; hexane / 0.5 h / -78 °C

2.2: 92 percent / hexachloroethane / tetrahydrofuran; hexane / -78 - 20 °C

With sodium hydride; lithium diisopropyl amide; In tetrahydrofuran; hexane;

DOI:10.1021/jo0508402

upstream raw materials:

O-3-bromophenyl N,N-diethylcarbamate

3-Bromophenol

N,N-diethylcarbamyl chloride

Downstream raw materials:

N-(3-bromo-2-chlorophenyl)-2-hydroxy-2-methylpropanamide

2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide

3-bromo-2-chlorobenzenamine