1-(2,4-dichlorobenzyl)-1H-indazole-3-carbohydrazide

Base Information

• Chemical Name: 1-(2,4-dichlorobenzyl)-1H-indazole-3-carbohydrazide
• CAS No.: 252025-52-8
• Molecular Formula: C15H12Cl2N4O
• Molecular Weight: 335.192
• UNII: VZT8V72829
• DSSTox Substance ID: DTXSID0040383
• Nikkaji Number: J2.135.019B
• Wikipedia: Adjudin
• Wikidata: Q4683181
• ChEMBL ID: CHEMBL2447887
• Mol file: 252025-52-8.mol

Synonyms:1-(2,4-dichlorobenzyl)indazole-3-carbohydrazide;adjudin;AF-2364;AF2364

Chemical Property of 1-(2,4-dichlorobenzyl)-1H-indazole-3-carbohydrazide

Chemical Property:

• PKA: 11.88±0.30(Predicted)
• PSA: 72.94000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 4.08610
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 334.0388164
• Heavy Atom Count: 22
• Complexity: 411

Purity/Quality:

97% ^*data from raw suppliers

Adjudin(AF-2364) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)NN

Technology Process of 1-(2,4-dichlorobenzyl)-1H-indazole-3-carbohydrazide

There total 1 articles about 1-(2,4-dichlorobenzyl)-1H-indazole-3-carbohydrazide 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:

methyl 1-(2,4-dichlorobenzyl)-1H-indazole-3-carboxylate (252025-50-6) → 1-(2,4-dichlorobenzyl)-1H-indazole-3-carbohydrazide (252025-52-8)

Guidance literature:

With hydrazine hydrate; In acetic acid;

Reference yield: 89.2%

1-(2,4-dichlorobenzyl)-1H-indazole-3-carbohydrazide (252025-52-8) + 4-Carboxybenzaldehyde (619-66-9) → C23H16Cl2N4O3

Guidance literature:

In dimethyl sulfoxide; at 20 ℃;

Reference yield: 65.5%

1-(2,4-dichlorobenzyl)-1H-indazole-3-carbohydrazide (252025-52-8) + doxorubicin hydrochloride (25316-40-9) → C42H39Cl2N5O11

Guidance literature:

With trifluoroacetic acid; In methanol; at 20 ℃; for 12h;

DOI:10.1039/c4tb01764a

upstream raw materials:

methyl 1-(2,4-dichlorobenzyl)-1H-indazole-3-carboxylate