Pyrazolam

Base Information

• Chemical Name: Pyrazolam
• CAS No.: 39243-02-2
• Molecular Formula: C16H12BrN5
• Molecular Weight: 354.209
• UNII: 8LH16383PK
• ChEMBL ID: CHEMBL3246831
• DSSTox Substance ID: DTXSID101043303
• Metabolomics Workbench ID: 155056
• Wikidata: Q15409343
• Wikipedia: Pyrazolam
• Mol file: 39243-02-2.mol

Synonyms:8-bromo-1-methyl-6-pyridin-2-yl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine;pyrazolam

Chemical Property of Pyrazolam

Chemical Property:

• PSA: 55.96000
• LogP: 2.51980
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 353.02761
• Heavy Atom Count: 22
• Complexity: 442

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=N4

Technology Process of Pyrazolam

There total 2 articles about Pyrazolam 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:

triethyl-orthoacetate + 7-bromo-5-(pyridin-2-yl)-3H-1,4-benzodiazepin-2-yl hydrazine (40890-40-2) → pyrazolam (39243-02-2)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol;

Reference yield:

→ pyrazolam (39243-02-2)

Guidance literature:

aus /BRN= 618646/ und Essigsaeurehydrazid;

DOI:10.1021/jm00197a021

Reference yield:

pyrazolam (39243-02-2) → [5-bromo-2-(3-chloromethyl-[1,2,4]triazol-4-yl)-phenyl]-pyridin-2-yl-methanone (58765-77-8) + [5-bromo-2-(3-hydroxymethyl-5-methyl-[1,2,4]triazol-4-yl)-phenyl]-pyridin-2-yl-methanone (58765-78-9)

Guidance literature:

With sodium nitrite; In 6 N-hydrochloric acid; water;

upstream raw materials:

7-bromo-5-(pyridin-2-yl)-3H-1,4-benzodiazepin-2-yl hydrazine

Downstream raw materials:

[5-bromo-2-(3-chloromethyl-[1,2,4]triazol-4-yl)-phenyl]-pyridin-2-yl-methanone

[5-bromo-2-(3-hydroxymethyl-5-methyl-[1,2,4]triazol-4-yl)-phenyl]-pyridin-2-yl-methanone

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