Benzyl 1-benzyl-1H-indazole-3-carboxylate

Base Information

• Chemical Name: Benzyl 1-benzyl-1H-indazole-3-carboxylate
• CAS No.: 174180-54-2
• Molecular Formula: C22H18N2O2
• Molecular Weight: 342.39100
• DSSTox Substance ID: DTXSID101203014
• Mol file: 174180-54-2.mol

Synonyms:Benzyl 1-benzyl-1H-indazole-3-carboxylate;174180-54-2;Benzyl 1-benzylindazole-3-carboxylate;1H-Indazole-3-carboxylic acid, 1-(phenylmethyl)-, phenylmethyl ester;MFCD20134219;1-Benzyl-1H-indazole-3-carboxylic acid benzyl ester;SCHEMBL8426872;PBFSDBVIGNCTEE-UHFFFAOYSA-N;DTXSID101203014;AMY20442;ZGA18054;AKOS022181076;AS-32578;SY016300;CS-0448280;FT-0766544;Phenylmethyl 1-(phenylmethyl)-1H-indazole-3-carboxylate

Chemical Property of Benzyl 1-benzyl-1H-indazole-3-carboxylate

Chemical Property:

• PSA: 44.12000
• LogP: 4.44160
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 342.136827821
• Heavy Atom Count: 26
• Complexity: 457

Purity/Quality:

97% ^*data from raw suppliers

Benzyl1-Benzyl-1H-indazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C(=O)OCC4=CC=CC=C4

Technology Process of Benzyl 1-benzyl-1H-indazole-3-carboxylate

There total 2 articles about Benzyl 1-benzyl-1H-indazole-3-carboxylate 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:

benzyl bromide (100-39-0) + 1H-Indazole-3-carboxylic acid (4498-67-3) → 1-Benzyl-1H-indazole-3-carboxylic acid benzyl ester (174180-54-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 16h;

DOI:10.1021/jm970265x

Reference yield:

benzyl bromide (100-39-0) + potassium carbonate (584-08-7) + 1H-Indazole-3-carboxylic acid (4498-67-3) → 1-Benzyl-1H-indazole-3-carboxylic acid benzyl ester (174180-54-2)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield:

water (7732-18-5) + 1-Benzyl-1H-indazole-3-carboxylic acid benzyl ester (174180-54-2) → (1-Benzyl-1H-indazol-3-yl)-methanol (131427-21-9)

Guidance literature:

With diisobutylaluminium hydride; In hexane; dichloromethane; ethyl acetate;

upstream raw materials:

benzyl bromide

1H-Indazole-3-carboxylic acid

potassium carbonate

Downstream raw materials:

(1-Benzyl-1H-indazol-3-yl)-methanol

1-Benzyl-3-bromomethyl-1H-indazole

2-(1-Benzyl-1H-indazol-3-ylmethyl)-2-methoxy-propanedioyl dichloride

2-[(1-benzyl-1H-indol-3-yl)methyl]-2-methoxypropanedioic acid