1-(4-Fluorobenzoyl)-1H-benzotriazole

Base Information

• Chemical Name: 1-(4-Fluorobenzoyl)-1H-benzotriazole
• CAS No.: 203070-37-5
• Molecular Formula: C13H8FN3O
• Molecular Weight: 241.224
• European Community (EC) Number: 621-411-7
• Nikkaji Number: J920.564K
• ChEMBL ID: CHEMBL4451810

Synonyms:203070-37-5;1-(4-Fluorobenzoyl)-1H-1,2,3-benzotriazole;1-(4-Fluorobenzoyl)-1H-benzotriazole;CHEMBL4451810;(1H-Benzo[d][1,2,3]triazol-1-yl)(4-fluorophenyl)methanone;starbld0023186;benzotriazol-1-yl-(4-fluorophenyl)methanone;CBChromo1_000246;Cambridge id 5269410;Oprea1_033373;Oprea1_470706;SCHEMBL2493323;BDBM50528914;AKOS000523493

Chemical Property of 1-(4-Fluorobenzoyl)-1H-benzotriazole

Chemical Property:

• Melting Point: 112-116 °C(lit.)
• PSA: 47.78000
• LogP: 2.25890
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 241.06514005
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

95% ^*data from raw suppliers

1-(4-Fluorobenzoyl)-1H-1,2,3-benzotriazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)F

Technology Process of 1-(4-Fluorobenzoyl)-1H-benzotriazole

There total 8 articles about 1-(4-Fluorobenzoyl)-1H-benzotriazole 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: 92.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + 4-Fluorobenzoic acid (456-22-4) → (1H-benzo[d][1,2,3]triazol-1-yl)(4-fluorophenyl)methanone (203070-37-5)

Guidance literature:

With thionyl chloride; In dichloromethane; for 2h; Inert atmosphere;

DOI:10.1002/adsc.201700095

Reference yield: 37.0%

1-[(4-Fluoro-phenyl)-bis-phenylselanyl-methyl]-1H-benzotriazole (203070-25-1) → (1H-benzo[d][1,2,3]triazol-1-yl)(4-fluorophenyl)methanone (203070-37-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 0.0833333h; Ambient temperature;

DOI:10.1002/jhet.5570340617

Reference yield:

1,2,3-Benzotriazole (95-14-7,27556-51-0) + 4-fluorobenzoyl chloride (403-43-0) → (1H-benzo[d][1,2,3]triazol-1-yl)(4-fluorophenyl)methanone (203070-37-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/np900157t

upstream raw materials:

1-[(4-Fluoro-phenyl)-bis-phenylselanyl-methyl]-1H-benzotriazole

1,2,3-Benzotriazole

(4-Fluorophenyl)methyl-1H-benzotriazole

1-chloromethyl-4-fluorobenzene

Downstream raw materials:

4-(4-fluoro-benzoyl)-5-oxo-azepane-1-carboxylic acid tert-butyl ester

2-(4-fluorophenyl)-1H-benzoimidazole

C₅₂H₆₀FN₅O₇

3-demethoxycarbonyl-3-(4'-fluorobenzoylamino)methylvindoline

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