1-Nitro-2-fluoro-4-benzhydrylbenzene

Base Information

• Chemical Name: 1-Nitro-2-fluoro-4-benzhydrylbenzene
• CAS No.: 189187-32-4
• Molecular Formula: C19H14FNO2
• Molecular Weight: 307.324
• DSSTox Substance ID: DTXSID901267197
• Nikkaji Number: J874.403C
• Mol file: 189187-32-4.mol

Synonyms:DTXSID901267197;1-Nitro-2-fluoro-4-benzhydrylbenzene;4-(diphenylmethyl)-2-fluoro-1-nitrobenzene;189187-32-4

Chemical Property of 1-Nitro-2-fluoro-4-benzhydrylbenzene

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 307.10085685
• Heavy Atom Count: 23
• Complexity: 367

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])F

Technology Process of 1-Nitro-2-fluoro-4-benzhydrylbenzene

There total 4 articles about 1-Nitro-2-fluoro-4-benzhydrylbenzene 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: 98.0%

(Diphenylmethyl)-4-chlorophenyl sulfide (32110-50-2) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 2-Fluoro-4-(diphenylmethyl)nitrobenzene (189187-32-4)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at -50 - -40 ℃; for 4h;

DOI:10.1055/s-2000-6411

Reference yield:

diphenylchloromethane (90-99-3) → 2-Fluoro-4-(diphenylmethyl)nitrobenzene (189187-32-4)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / 5 h / Heating

2: 98 percent / tert-BuOK / dimethylformamide / 4 h / -50 - -40 °C

With potassium tert-butylate; potassium carbonate; In N,N-dimethyl-formamide; acetone; 1: Alkylation / 2: Alkylation;

DOI:10.1055/s-2000-6411

Reference yield:

1,1-Diphenylmethanol (91-01-0) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 2-Fluoro-4-(diphenylmethyl)nitrobenzene (189187-32-4)

Guidance literature:

With 1,2,3-Benzotriazole; potassium tert-butylate; toluene-4-sulfonic acid; Yield given. Multistep reaction; 1) perfluorocarbon fluid (bp 104 deg C), reflux, overnight; 2) THF, -20 deg C, 4 h;

DOI:10.1021/jo9624197

upstream raw materials:

1,1-Diphenylmethanol

ortho-nitrofluorobenzene

(Diphenylmethyl)-4-chlorophenyl sulfide

4-bromo-2-fluoronitrobenzene