1-benzyl-1H-tetrazole-5-carbonyl chloride

Base Information

• Chemical Name: 1-benzyl-1H-tetrazole-5-carbonyl chloride
• CAS No.: 64470-37-7
• Molecular Formula: C9H7ClN4O
• Molecular Weight: 222.634
• DSSTox Substance ID: DTXSID20607510
• Wikidata: Q82506535
• Mol file: 64470-37-7.mol

Synonyms:1-benzyl-1H-tetrazole-5-carbonyl chloride;64470-37-7;SCHEMBL11069413;DTXSID20607510;WRWCMPYYDXJESR-UHFFFAOYSA-N;1-benzyl-1H-tetrazole5-carbonyl chloride

Chemical Property of 1-benzyl-1H-tetrazole-5-carbonyl chloride

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.0308386
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=NN=N2)C(=O)Cl

Technology Process of 1-benzyl-1H-tetrazole-5-carbonyl chloride

There total 5 articles about 1-benzyl-1H-tetrazole-5-carbonyl chloride 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:

1-benzyl-1H-tetrazole-5-carboxylic acid potassium salt (63005-72-1) + oxalyl dichloride (79-37-8) → 1-benzyl-5-tetrazolecarbonyl chloride (64470-37-7)

Guidance literature:

With pyridine; In benzene;

Reference yield:

1-benzyl-1H-tetrazole-5-carboxylic acid potassium salt (63005-72-1) → 1-benzyl-5-tetrazolecarbonyl chloride (64470-37-7)

Guidance literature:

With pyridine; oxalyl dichloride; In benzene; at 15 ℃; for 0.5h;

DOI:10.1021/jm00138a021

Reference yield:

1-benzyl-1H-tetrazole-5-carboxylic acid ethyl ester (63005-71-0) → 1-benzyl-5-tetrazolecarbonyl chloride (64470-37-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / KOH / ethanol

2: oxalyl chloride, pyridine / benzene / 0.5 h / 15 °C

With pyridine; potassium hydroxide; oxalyl dichloride; In ethanol; benzene;

DOI:10.1021/jm00138a021

upstream raw materials:

1-benzyl-1H-tetrazole-5-carboxylic acid potassium salt

1-benzyl-1H-tetrazole-5-carboxylic acid ethyl ester

oxalyl dichloride

Downstream raw materials:

3-(1-benzyl-1H-tetrazole-5-carbonylamino)-2-hydroxy-5-methyl-benzoic acid methyl ester

1-benzyl-1H-tetrazole-5-carboxylic acid 3-acetyl-5-ethyl-2-hydroxy-anilide

C₂₅H₁₉N₁₁O₂

benzyl-N-[2-carbamoyl-3-methoxyphenyl]-1H-tetrazole-5-carboxamide