(1H-benzo[d][1,2,3]triazol-1-yl)(4-methoxyphenyl)methanone

Base Information

• Chemical Name: (1H-benzo[d][1,2,3]triazol-1-yl)(4-methoxyphenyl)methanone
• CAS No.: 4231-69-0
• Molecular Formula: C₁₄H₁₁N₃O₂
• Molecular Weight: 253.26
• DSSTox Substance ID: DTXSID901285743
• Nikkaji Number: J920.565I
• ChEMBL ID: CHEMBL1288788
• Mol file: 4231-69-0.mol

Synonyms:4231-69-0;1-(4-methoxybenzoyl)-1H-1,2,3-benzotriazole;(1H-benzo[d][1,2,3]triazol-1-yl)(4-methoxyphenyl)methanone;CHEMBL1288788;1-(4-Methoxybenzoyl)-1H-benzotriazole;1H-benzotriazol-1-yl(4-methoxyphenyl)methanone;starbld0035250;CBMicro_013262;Cambridge id 5190300;Oprea1_066891;Oprea1_656861;SCHEMBL2494948;DTXSID901285743;SMSF0004326;N-((4-Methoxy)benzoyl)benzotriazol;BDBM50457201;MFCD00475615;STK023050;AKOS000492045;CB04301;BIM-0013381.P001;EU-0002366;SR-01000407196;SR-01000407196-1;F1443-2337;4-(1h-1,2,3-benzotriazol-1-ylcarbonyl)phenyl methyl ether

Chemical Property of (1H-benzo[d][1,2,3]triazol-1-yl)(4-methoxyphenyl)methanone

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 253.085126602
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2

Technology Process of (1H-benzo[d][1,2,3]triazol-1-yl)(4-methoxyphenyl)methanone

There total 13 articles about (1H-benzo[d][1,2,3]triazol-1-yl)(4-methoxyphenyl)methanone 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: 99.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + 4-methoxybenzoic acid (100-09-4) → 1-(4-methoxybenzoyl)-1H-1,2,3-benzotriazole (4231-69-0)

Guidance literature:

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

DOI:10.1002/adsc.201700095

Reference yield: 97.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + 4-methoxy-benzoyl chloride (100-07-2) → 1-(4-methoxybenzoyl)-1H-1,2,3-benzotriazole (4231-69-0)

Guidance literature:

With triethylamine; In dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1002/jhet.5570360333

Reference yield: 95.0%

1-[(4-Methoxy-phenyl)-bis-phenylselanyl-methyl]-1H-benzotriazole (203070-26-2) → 1-(4-methoxybenzoyl)-1H-1,2,3-benzotriazole (4231-69-0)

Guidance literature:

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

DOI:10.1002/jhet.5570340617

upstream raw materials:

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

1,2,3-Benzotriazole

4-methoxy-benzoyl chloride

carbon monoxide

Downstream raw materials:

1,2,3-Benzotriazole

4-methoxybenzoic acid

1H-1,2,3-benzotriazol-1-yl(phenyl)methyl 4-methoxybenzoate

2-(4-methoxybenzoyl)thiophene