1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBALDEHYDE

Base Information

• Chemical Name: 1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBALDEHYDE
• CAS No.: 70938-42-0
• Molecular Formula: C7H5N3O
• Molecular Weight: 147.136
• Mol file: 70938-42-0.mol

Synonyms:1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBALDEHYDE;1H-Benzotriazole-5-carboxaldehyde (9CI)

Chemical Property of 1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBALDEHYDE

Chemical Property:

• Boiling Point: 448.9±18.0 °C(Predicted)
• PKA: 7.51±0.40(Predicted)
• PSA: 58.64000
• Density: 1.471±0.06 g/cm3(Predicted)
• LogP: 0.77040

Purity/Quality:

98%min ^*data from raw suppliers

1H-benzo[d][1,2,3]triazole-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBALDEHYDE

There total 7 articles about 1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBALDEHYDE 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: 90.0%

(1H-benzo[d][1,2,3]triazol-5-yl)methanol (106429-67-8) → 1H-1,2,3-benzotriazole-5-carbaldehyde (70938-42-0)

Guidance literature:

With dipyridinium dichromate; In acetone; at 20 ℃; for 4h;

DOI:10.1080/00397910500214151

Reference yield: 60.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 6-bromo-1H-benzo[d][1,2,3]triazole → 1H-benzo[d][1,2,3]triazole-5-carbaldehyde (70938-42-0)

Guidance literature:

With triethylsilyl chloride; palladium diacetate; sodium carbonate; johnphos; at 70 ℃; for 4h; Inert atmosphere;

Reference yield:

1h-benzotriazole-5-carboxylic acid (23814-12-2) → 1H-1,2,3-benzotriazole-5-carbaldehyde (70938-42-0)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran / 10 h / 20 °C

2: TPAP; 4 Angstroem molecular sieves; NMO / CH₂Cl₂ / 1 h

With lithium aluminium tetrahydride; N-methyl-2-indolinone; tetrapropylammonium perruthennate; 4 A molecular sieve; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm0502790

upstream raw materials:

(1H-benzo[d][1,2,3]triazol-5-yl)methanol

1h-benzotriazole-5-carboxylic acid

1H-Benzotriazole-5-carboxylic acid methyl ester

C₈H₇N₃O₂

Downstream raw materials:

(1E,6E)-1-(1H-benzotriazol-5-yl)-7-[2-methoxy-4-(2-pyridylmethoxy)phenyl]hepta-1,6-diene-3,5-dione

(E)-3-((1H-indazol-6-yl)methylene)-5-methoxyindolin-2-one

Refernces

• 1、 -. "Substituted Pyran Derivatives". Paragraph 0141; 0144. . Retrieved 2014/10/29.
• 2、 -. "INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLMONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER". Page/Page column 84. . Retrieved 2009/07/25.