1-BENZOYL-1H-BENZOTRIZOLE 97

Base Information

• Chemical Name: 1-BENZOYL-1H-BENZOTRIZOLE 97
• CAS No.: 4231-62-3
• Molecular Formula: C13H9 N3 O
• Molecular Weight: 223.234
• Hs Code.: 2933990090
• Mol file: 4231-62-3.mol

Synonyms:1H-Benzotriazole,1-benzoyl- (6CI,7CI,8CI,9CI); (1H-1,2,3-Benzotriazol-1-yl)(phenyl)methanone;1-Benzoyl-1H-benzotriazole; 1-Benzoylbenzotriazole;N-Benzoyl-1,2,3-benzotriazole

Chemical Property of 1-BENZOYL-1H-BENZOTRIZOLE 97

Chemical Property:

• Vapor Pressure: 9.11E-07mmHg at 25°C
• Melting Point: 110-112 °C
• Refractive Index: 1.68
• Boiling Point: 404.9°C at 760 mmHg
• PKA: -0.40±0.30(Predicted)
• Flash Point: 198.7°C
• PSA: 47.78000
• Density: 1.28g/cm³
• LogP: 2.11980
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%Min ^*data from raw suppliers

1-Benzoyl-1H-benzotriazole 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: N-Acylbenzotriazoles from Aldrich: Neutral Acylating Reagents

Technology Process of 1-BENZOYL-1H-BENZOTRIZOLE 97

There total 28 articles about 1-BENZOYL-1H-BENZOTRIZOLE 97 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%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + benzoic acid (65-85-0,8013-63-6) → 1-benzoyl-1H-benzotriazole (4231-62-3)

Guidance literature:

benzoic acid; With 1,3,5-trichloro-2,4,6-triazine; triethylamine; In dichloromethane; at 0 ℃; for 0.166667h;

1,2,3-Benzotriazole; In dichloromethane; at 0 - 25 ℃; for 0.166667h;

DOI:10.1007/s00706-014-1408-1

Reference yield: 95.0%

2'-Aminobenzanilid (721-47-1) → 1-benzoyl-1H-benzotriazole (4231-62-3)

Guidance literature:

With tert.-butylnitrite; In acetonitrile; at 27 - 29 ℃; for 0.25h;

DOI:10.1039/c8ob01950a

Reference yield: 92.0%

1-((4-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole (1431-31-8) + benzoic acid (65-85-0,8013-63-6) → 1-benzoyl-1H-benzotriazole (4231-62-3)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 40 ℃; for 57h;

DOI:10.1055/s-2003-40512

upstream raw materials:

1,4-dioxane

pyridine

1-Hydroxymethyl-1H-benzotriazole

benzoyl chloride

Downstream raw materials:

1,2,3-Benzotriazole

benzoic acid

N-butylbenzamide

1-(1H-1,2,3-benzotriazol-1-yl)propyl benzoate

Refernces

• 1、 Widyan, Khalid. "An Improved Synthesis of Polyfunctional Acyl Azides in PEG 400". . p. 120 - 126. Retrieved 2021/03/16.
• 2、 Abd El-Lateef, Hany M.,Abdrabo, Wessam S.,Elgendy, Bahaa,Soliman, Kamal A.,Tantawy, Ahmed H.. "Synthesis, assessment and corrosion protection investigations of some novel peptidomimetic cationic surfactants: Empirical and theoretical insights". . . Retrieved 2020/07/21.