2-Bromo-4-fluoro-N-methylaniline hydrochloride

Base Information

• Chemical Name: 2-Bromo-4-fluoro-N-methylaniline hydrochloride
• CAS No.: 1037138-94-5
• Molecular Formula: C7H7BrFN
• Molecular Weight: 204.042
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID00681959
• Mol file: 1037138-94-5.mol

Synonyms:2-Bromo-4-fluoro-N-methylaniline hydrochloride;1037138-94-5;N-Methyl 2-bromo-4-fluoroaniline, HCl;1216913-11-9;2-bromo-4-fluoro-N-methylaniline;hydrochloride;N-Methyl 2-bromo-4-fluoroaniline hydrochloride;N-Methyl 2-bromo-4-fluoroaniline;N-methyl-2-bromo-4-fluoroaniline hydrochloride;SCHEMBL16051620;DTXSID00681959;MFCD13195687;AKOS015908242;AS-66918;CS-0207885;2-Bromo-4-fluoro-N-methylanilinehydrochloride;J-508297;2-Bromo-4-fluoro-N-methylaniline--hydrogen chloride (1/1)

Chemical Property of 2-Bromo-4-fluoro-N-methylaniline hydrochloride

Chemical Property:

• Boiling Point: 234.0±30.0 °C(Predicted)
• PKA: 3.10±0.12(Predicted)
• PSA: 12.03000
• Density: 1.578±0.06 g/cm3(Predicted)
• LogP: 3.50490
• Storage Temp.: 2-8°C(protect from light)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 238.95127
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

98%Min ^*data from raw suppliers

N-Methyl2-bromo-4-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1)F)Br.Cl

Technology Process of 2-Bromo-4-fluoro-N-methylaniline hydrochloride

There total 1 articles about 2-Bromo-4-fluoro-N-methylaniline hydrochloride 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: 77.0%

2-bromo-4-fluoroaniline (1003-98-1) + methyl iodide (74-88-4) → 2-bromo-4-fluoro-N-methylaniline (1037138-94-5)

Guidance literature:

With methyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201502256

Reference yield: 96.0%

2-bromo-4-fluoro-N-methylaniline (1037138-94-5) + 4-(tert-butyldimethylsilyloxy)-1-butyne (78592-82-2) → 2-{4-[(tert-butyldimethylsilyl)oxy]but-1-yn-1-yl}-4-fluoro-N-methylaniline

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); copper(l) iodide; tri-tert-butyl phosphine; diisopropylamine; In toluene; at 40 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.201502256

Reference yield: 86.0%

2-bromo-4-fluoro-N-methylaniline (1037138-94-5) + propionyl chloride (79-03-8) → N-(2-bromo-4-fluorophenyl)-N-methylpropionamide

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.1c01799

upstream raw materials:

2-bromo-4-fluoroaniline

methyl iodide

Downstream raw materials:

N-(2-bromo-4-fluorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

Refernces