3,5-Difluoro-N-methylaniline

Base Information

• Chemical Name: 3,5-Difluoro-N-methylaniline
• CAS No.: 470458-51-6
• Molecular Formula: C7H7F2N
• Molecular Weight: 143.136
• Hs Code.: 2921420090
• European Community (EC) Number: 875-180-4
• DSSTox Substance ID: DTXSID80587349
• Nikkaji Number: J2.469.235C
• Mol file: 470458-51-6.mol

Synonyms:3,5-Difluoro-N-methylaniline;470458-51-6;N-Methyl-3,5-difluoroaniline;N-METHYL 3,5-DIFLUOROANILINE;SCHEMBL463544;3,5-difluoro-N-methyl-aniline;DTXSID80587349;RVLAHRBSGLXXPZ-UHFFFAOYSA-N;MFCD09878315;AKOS000257584;BS-23022;3,5-Difluoro-N-methylaniline, AldrichCPR;CS-0211613;W16587;EN300-1253482

Chemical Property of 3,5-Difluoro-N-methylaniline

Chemical Property:

• Vapor Pressure: 0.866mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 181.1°C at 760 mmHg
• Flash Point: 63.3°C
• PSA: 12.03000
• Density: 1.22g/cm³
• LogP: 2.07950
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.05465555
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

99% ^*data from raw suppliers

3,5-Difluoro-N-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC(=CC(=C1)F)F

Technology Process of 3,5-Difluoro-N-methylaniline

There total 9 articles about 3,5-Difluoro-N-methylaniline 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: 94.0%

methanol (67-56-1) + 3,5-difluoroaniline (372-39-4) → 3,5-difluoro-N-methylbenzenamine (470458-51-6)

Guidance literature:

With [Cp*Ir(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole)Cl][Cl]; caesium carbonate; at 120 ℃; for 12h; Schlenk technique;

DOI:10.1021/acs.orglett.7b02723

Reference yield: 45.0%

formic acid (64-18-6) + 3,5-difluoroaniline (372-39-4) → 3,5-difluoro-N-methylbenzenamine (470458-51-6)

Guidance literature:

formic acid; With acetic anhydride; at 60 ℃; for 3h;

3,5-difluoroaniline; In tetrahydrofuran; at -20 ℃; for 1.7h;

With dimethylsulfide borane complex; In tetrahydrofuran; at 70 ℃; for 2.2h; Further stages.;

DOI:10.1021/ja0718366

Reference yield:

C13H10F2N4 (1258840-66-2) → 3,5-difluoro-N-methylbenzenamine (470458-51-6)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1016/j.cclet.2010.03.016

upstream raw materials:

N-(3,5-difluorophenyl)formamide

formic acid

3,5-difluoroaniline

3,5-difluorobenzoic acid

Downstream raw materials:

3,5-difluoro-N-methyl-N-pivaloylaniline

8-(1-((3,5-difluorophenyl)(methyl)amino)ethyl)-2-morpholino-6-(pyrrolidine-1-carbonyl)-4H-chromen-4-one