3,5-Difluoro-N,N-dimethylaniline

Base Information

• Chemical Name: 3,5-Difluoro-N,N-dimethylaniline
• CAS No.: 123855-25-4
• Molecular Formula: C8H9 F2 N
• Molecular Weight: 157.163
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID10443641
• Mol file: 123855-25-4.mol

Synonyms:3,5-Difluoro-N,N-dimethylaniline;123855-25-4;BENZENAMINE, 3,5-DIFLUORO-N,N-DIMETHYL-;Benzenamine, 3,5-difluoro-N,N-dimethyl- (9CI);SCHEMBL6225564;DTXSID10443641;LSFWPIDPPNCVHV-UHFFFAOYSA-N;N,N-dimethyl-3,5-difluoroaniline;AKOS006346688;FS-4994;SB75752

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

Chemical Property:

• PSA: 3.24000
• LogP: 2.03080
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.07030562
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

99%+ ^*data from raw suppliers

3,5-Difluoro-N,N-dimethylaniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC(=CC(=C1)F)F

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

There total 3 articles about 3,5-Difluoro-N,N-dimethylaniline 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: 48.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3,5-difluoroaniline (372-39-4) → 3,5-difluoro-N,N-dimethylaniline (123855-25-4)

Guidance literature:

With sodium cyanoborohydride; acetic acid; at 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.9b01908

Reference yield:

trimethyl phosphite (512-56-1) + 3,5-difluoroaniline (372-39-4) → 3,5-difluoro-N,N-dimethylaniline (123855-25-4)

Guidance literature:

With sodium hydroxide; Multistep reaction; 1.) 180 deg C, 2 h, 2.) H₂O, 1 h, reflux;

DOI:10.1021/jm950639r

Reference yield:

1,2,3-trifluorobenzene (1489-53-8) + 1,3,5-trifluorobenzene (372-38-3) + dimethyl(trimethylsilyl)phosphine (26464-99-3) → 2,6-difluoro-N,N-dimethylaniline (55847-15-9) + 2,3-difluoro-N,N-dimethylaniline (1220996-78-0) + 3,5-difluoro-N,N-dimethylaniline (123855-25-4)

Guidance literature:

In benzene; at 170 ℃; for 40h; Inert atmosphere;

DOI:10.1002/ejoc.200900880

upstream raw materials:

trimethyl phosphite

3,5-difluoroaniline

1,2,3-trifluorobenzene

1,3,5-trifluorobenzene

Downstream raw materials:

2,6-difluoro-4-dimethylaminobenzaldehyde

[4-(2-Amino-ethyl)-3,5-difluoro-phenyl]-dimethyl-amine

(Ε)-3,5-difluoro-N,N-dimethyl-4-(2-nitrovinyl)aniline

1-(5-Chloro-pyridin-2-yl)-3-[2-(4-dimethylamino-2,6-difluoro-phenyl)-ethyl]-thiourea