Methyl (3-bromophenyl)carbamate

Base Information

• Chemical Name: Methyl (3-bromophenyl)carbamate
• CAS No.: 25216-72-2
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• DSSTox Substance ID: DTXSID20879356
• Nikkaji Number: J1.607.516G
• Wikidata: Q82861454
• Mol file: 25216-72-2.mol

Synonyms:methyl (3-bromophenyl)carbamate;25216-72-2;Methyl N-(3-bromophenyl)carbamate;Carbamic acid, (3-bromophenyl)-, methyl ester;(3-Bromo-phenyl)-carbamic acid methyl ester;SCHEMBL515154;methyl(3-bromophenyl)carbamate;DTXSID20879356;MFYWFWFNTFKJSA-UHFFFAOYSA-N;MFCD01013174;STK489665;AKOS000210255;(3-Bromophenyl)carbamic acid methyl ester;AS-40193;CS-0037970

Chemical Property of Methyl (3-bromophenyl)carbamate

Chemical Property:

• Boiling Point: 237.4±23.0 °C(Predicted)
• PKA: 13.19±0.70(Predicted)
• PSA: 38.33000
• Density: 1.585±0.06 g/cm3(Predicted)
• LogP: 2.70040
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

95% ^*data from raw suppliers

MethylN-(3-Bromophenyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl (3-bromophenyl)carbamate

There total 6 articles about Methyl (3-bromophenyl)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: 85.0%

hydrazinecarboxylic acid methyl ester (6294-89-9) + m-Bromoaniline (591-19-5) → 3-bromophenyl carbamic acid methyl ester (25216-72-2)

Guidance literature:

With tert.-butylhydroperoxide; copper(ll) bromide; In water; acetonitrile; at 20 ℃; for 4h; Sealed tube; Schlenk technique;

DOI:10.1021/acs.joc.1c01031

Reference yield:

methanol (67-56-1) + 3-(3-bromophenyl)-1,1-diisopropylurea (1202047-34-4) → 3-bromophenyl carbamic acid methyl ester (25216-72-2) + diisopropylamine (108-18-9)

Guidance literature:

at 70 ℃; Kinetics;

DOI:10.1002/anie.200904435

Reference yield:

methyl chloroformate (79-22-1) + m-Bromoaniline (591-19-5) → 3-bromophenyl carbamic acid methyl ester (25216-72-2)

Guidance literature:

With sodium carbonate; benzene;

upstream raw materials:

methanol

3-bromobenzoyl azide

3-bromo-benzoic acid bromoamide

sodium methylate

Downstream raw materials:

3-bromo-2,4,6-trinitro-aniline

5-methoxy-2,4-dinitroaniline

5-bromo-2,4-dinitro-aniline

1-(tert-butyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 25216-72-2 [2-(3-BroMo-phenyl)-ethyl]-carbaMic acid Methyl ester

Send

Send

Metric Ton KG G Pound L ML

Send

Send