3,3-Dimethyl-1-(4-fluorophenyl)triazene

Base Information

• Chemical Name: 3,3-Dimethyl-1-(4-fluorophenyl)triazene
• CAS No.: 23456-94-2
• Molecular Formula: C8H10 F N3
• Molecular Weight: 167.186
• DSSTox Substance ID: DTXSID101030910
• Nikkaji Number: J48.091F
• ChEMBL ID: CHEMBL49339
• Mol file: 23456-94-2.mol

Synonyms:23456-94-2;3,3-Dimethyl-1-(4-fluorophenyl)triazene;BRN 0956889;3,3-Dimethyl-1-(p-fluorophenyl)triazene;1-p-Fluorfenyl-3,3-dimethyltriazen [Czech];Triazene, 3,3-dimethyl-1-(p-fluorophenyl)-;1-p-Fluorfenyl-3,3-dimethyltriazen;CHEMBL49339;DTXSID101030910;AKOS006279280

Chemical Property of 3,3-Dimethyl-1-(4-fluorophenyl)triazene

Chemical Property:

• Vapor Pressure: 0.201mmHg at 25°C
• Melting Point: 33-35 °C(Solv: methanol (67-56-1))
• Boiling Point: 209.6°Cat760mmHg
• PKA: 0.42±0.70(Predicted)
• Flash Point: 80.6°C
• PSA: 27.96000
• Density: 1.08g/cm³
• LogP: 2.38600
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 167.08587549
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)N=NC1=CC=C(C=C1)F

Technology Process of 3,3-Dimethyl-1-(4-fluorophenyl)triazene

There total 2 articles about 3,3-Dimethyl-1-(4-fluorophenyl)triazene 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: 83.0%

dimethyl amine (124-40-3) + 4-fluoroaniline (371-40-4) → 1-(4-fluorophenyl)-3,3-dimethyltriazene (23456-94-2)

Guidance literature:

4-fluoroaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h;

dimethyl amine; With potassium carbonate; In water; at 0 ℃;

DOI:10.1016/j.bmc.2007.02.027

Reference yield:

→ 1-(4-Fluor-phenyl)-3,3-dimethyl-triazen-(1) (23456-94-2)

Guidance literature:

4-Fluoranilin, NaNO2, entspr. sec. Amin;

Reference yield: 89.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-(4-fluorophenyl)-3,3-dimethyltriazene (23456-94-2) → N-(t-butoxycarbonyl)-N-methyl(m-fluorobenzyl)amine

Guidance literature:

1-(4-fluorophenyl)-3,3-dimethyltriazene; With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 1h;

di-tert-butyl dicarbonate;

DOI:10.1002/1521-3773(20020201)41:3<484::AID-ANIE484>3.0.CO;2-W

upstream raw materials:

dimethyl amine

4-fluoroaniline

Refernces