3-Chloro-2-methylbenzenediazonium tetrafluoroborate

Base Information

• Chemical Name: 3-Chloro-2-methylbenzenediazonium tetrafluoroborate
• CAS No.: 446-55-9
• Molecular Formula: C7H6BClF4N2
• Molecular Weight: 240.396
• European Community (EC) Number: 207-172-8
• DSSTox Substance ID: DTXSID70196242
• Mol file: 446-55-9.mol

Synonyms:3-Chloro-2-methylbenzenediazonium tetrafluoroborate;446-55-9;EINECS 207-172-8;DTXSID70196242;FGDIXZONYONKRC-UHFFFAOYSA-N;AKOS021292811;NS00031448

Chemical Property of 3-Chloro-2-methylbenzenediazonium tetrafluoroborate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 28.15000
• Density: g/cm³
• LogP: 4.43298
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 240.0248687
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B-](F)(F)(F)F.CC1=C(C=CC=C1Cl)[N+]#N

Technology Process of 3-Chloro-2-methylbenzenediazonium tetrafluoroborate

There total 1 articles about 3-Chloro-2-methylbenzenediazonium tetrafluoroborate 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:

tetrafluoroboric acid + 3-chloro-2-methylbenzenamine (87-60-5) → 6-chloro-toluene-2-diazonium ; tetrafluoroborate (446-55-9)

Guidance literature:

tetrafluoroboric acid; 3-chloro-2-methylbenzenamine; In ethanol; water; at 20 ℃; for 0.0833333h;

With tert.-butylnitrite; In ethanol; water; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1039/d0cc01443e

Reference yield: 55.0%

allylbenzene (300-57-2,57807-91-7) + Langlois reagent (2926-29-6) + 6-chloro-toluene-2-diazonium ; tetrafluoroborate (446-55-9) → 6-chloro-7-methyl-3-phenyl-2-(2,2,2-trifluoroethyl)-1H-indole

Guidance literature:

With dihydrogen peroxide; silver nitrate; In water; acetonitrile; at 80 ℃; for 2h; regioselective reaction; Inert atmosphere;

DOI:10.1002/anie.201406464

Reference yield: 55.0%

1-phenylbut-3-en-1-one (6249-80-5) + Langlois reagent (2926-29-6) + 6-chloro-toluene-2-diazonium ; tetrafluoroborate (446-55-9) → 1-(3-chloro-2-methylphenyl)-5-phenyl-3-(2,2,2-trifluoroethyl)-1H-pyrazole

Guidance literature:

With dihydrogen peroxide; silver nitrate; In water; acetonitrile; at 80 ℃; for 2h; regioselective reaction; Inert atmosphere;

DOI:10.1002/anie.201406464

upstream raw materials:

3-chloro-2-methylbenzenamine

Downstream raw materials:

2-chloro-6-fluorotoluene

Refernces