2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone

Base Information

• Chemical Name: 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone
• CAS No.: 163729-26-8
• Molecular Formula: C₁₄H₁₀BrN₃O
• Molecular Weight: 316.157
• DSSTox Substance ID: DTXSID401320215
• Nikkaji Number: J709.103F
• Wikidata: Q106045232
• ChEMBL ID: CHEMBL1450675
• Mol file: 163729-26-8.mol

Synonyms:163729-26-8;2-(benzotriazol-1-yl)-1-(4-bromophenyl)ethanone;2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-bromophenyl)ethan-1-one;MLS000712897;SMR000282664;2-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-(4-bromophenyl)ethan-1-one;cid_761840;CHEMBL1450675;BDBM47862;CHEBI:149815;2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-bromophenyl)ethanone;DTXSID401320215;HMS2755P16;STK388522;AKOS000736071;CCG-107156;CS-0328593;2-(1-benzotriazolyl)-1-(4-bromophenyl)ethanone;AG-690/11351254;SR-01000439060;SR-01000439060-1;2-(1H-benzotriazol-1-yl)-1-(4-bromophenyl)ethanone

Chemical Property of 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 315.00072
• Heavy Atom Count: 19
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)Br

Technology Process of 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone

There total 2 articles about 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone 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: 87.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + para-bromoacetophenone (99-90-1) → 2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(3-bromophenyl)ethan-1-one (163729-26-8)

Guidance literature:

With iodine; sodium hydrogencarbonate; In 1,2-dichloro-ethane; at 80 ℃; for 24h;

DOI:10.1016/j.tet.2012.07.008

Reference yield: 80.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + para-bromophenacyl bromide (99-73-0,132309-76-3) → 2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(3-bromophenyl)ethan-1-one (163729-26-8)

Guidance literature:

In neat (no solvent); at 40 - 50 ℃; for 3h; Irradiation;

DOI:10.3987/com-95-7215

Reference yield: 84.0%

1,3-diphenyl-propen-3-one (614-47-1) + 2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(3-bromophenyl)ethan-1-one (163729-26-8) → 2-(4'-bromophenyl)-4,6-diphenylpyridine (3557-70-8)

Guidance literature:

With ammonium acetate; In acetic acid; for 30h; Heating;

DOI:10.1055/s-1999-3637

upstream raw materials:

1,2,3-Benzotriazole

para-bromophenacyl bromide

para-bromoacetophenone

Downstream raw materials:

2-(4'-bromophenyl)-4,6-diphenylpyridine

1-bromo-4-phenylethynylbenzene

2-[2-(4-bromophenyl)ethynyl]thiophene

1-[2-(4-bromophenyl)ethynyl]-1H-1,2,3-benzotriazole

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