1H-Benzotriazole-1-carboxaldehyde

Base Information

• Chemical Name: 1H-Benzotriazole-1-carboxaldehyde
• CAS No.: 72773-04-7
• Molecular Formula: C7H5 N3 O
• Molecular Weight: 147.136
• Hs Code.: 2933990090
• Mol file: 72773-04-7.mol

Synonyms:1-Formylbenzotriazole;N-Formylbenzotriazole

Chemical Property of 1H-Benzotriazole-1-carboxaldehyde

Chemical Property:

• Vapor Pressure: 0.000456mmHg at 25°C
• Melting Point: 90-95 °C(lit.)
• Refractive Index: 1.695
• Boiling Point: 314.8°C at 760 mmHg
• PKA: -0.45±0.30(Predicted)
• Flash Point: 144.2°C
• PSA: 47.78000
• Density: 1.39g/cm³
• LogP: 1.07170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

1H-Benzotriazole-1-carboxaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Benzotriazole-1-carboxaldehyde

There total 5 articles about 1H-Benzotriazole-1-carboxaldehyde 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: 99.7%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + formic anhydride (1558-67-4) + formyl acetic anhydride (2258-42-6) → N-formylbenzotriazole (72773-04-7)

Guidance literature:

In tetrahydrofuran; isopropyl alcohol; at -15 - -5 ℃; for 0.533333h; Inert atmosphere;

DOI:10.15227/orgsyn.090.0358

Reference yield: 84.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + formic acid (64-18-6) → N-formylbenzotriazole (72773-04-7)

Guidance literature:

With diisopropyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/b901797f

Reference yield: 67.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + formyl chloride (2565-30-2) → N-formylbenzotriazole (72773-04-7)

Guidance literature:

With triethylamine; In dichloromethane; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c03535

upstream raw materials:

1,2,3-Benzotriazole

formic acid

formyl acetic anhydride

formic anhydride

Downstream raw materials:

Formanilid

N-benzyl-N-(2,2-dibromovinyl)-4-methylbenzenesulfonamide

N^b-formyl-N^b-methyltryptamine

Refernces

• 1、 Prishchenko, Andrey A.,Alekseyev, Roman S.,Livantsov, Mikhail V.,Novikova, Olga P.,Livantsova, Ludmila I.,Petrosyan, Valery S.. "Tris(trimethylsilyl) phosphite as key synthon for convenient synthesis of new organosilicon(phosphorus)-containing N-heterocycles". . p. 149 - 154. Retrieved 2017/10/31.
• 2、 Prishchenko, Andrey A.,Livantsov, Mikhail V.,Novikova, Olga P.,Livantsova, Ludmila I.,Petrosyan, Valery S.. "Synthesis of new five-membered N-heterocycle derivatives of mono- and bis-phosphonic acids". . p. 90 - 92. Retrieved 2017/02/05.