Methyl 1,3,4-triphenyl-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: Methyl 1,3,4-triphenyl-1H-pyrazole-5-carboxylate
• CAS No.: 30020-55-4
• Molecular Formula: C23H18N2O2
• Molecular Weight: 354.408
• DSSTox Substance ID: DTXSID00516378
• Nikkaji Number: J452.271K
• Wikidata: Q82377774
• Mol file: 30020-55-4.mol

Synonyms:30020-55-4;Methyl 1,3,4-triphenyl-1H-pyrazole-5-carboxylate;DTXSID00516378

Chemical Property of Methyl 1,3,4-triphenyl-1H-pyrazole-5-carboxylate

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 354.136827821
• Heavy Atom Count: 27
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of Methyl 1,3,4-triphenyl-1H-pyrazole-5-carboxylate

There total 14 articles about Methyl 1,3,4-triphenyl-1H-pyrazole-5-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: 91.0%

phenylpropynoic acid methyl ester (4891-38-7) + N-phenylbenzohydrazonoyl chloride (15424-14-3) → 1,3,5-Triphenylpyrazol-4-carbonsaeure-methylester (54799-84-7) + 1,3,4-Triphenylpyrazol-5-carbonsaeure-methylester (30020-55-4)

Guidance literature:

With triethylamine; In benzene; at 80 ℃; for 6h;

Reference yield: 70.0%

methanol (67-56-1) + 1,3,4,7-Tetraphenyl-8-oxa-1,2,6-triaza-spiro[4.4]nona-2,6-dien-9-one (145383-25-1) → 1,3,4-Triphenylpyrazol-5-carbonsaeure-methylester (30020-55-4)

Guidance literature:

With sodium methylate; for 3h; Heating;

DOI:10.1515/znb-2000-0617

Reference yield:

N-phenylbenzohydrazonoyl chloride (15424-14-3) → 1,3,4-Triphenylpyrazol-5-carbonsaeure-methylester (30020-55-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 65 percent / Et₃N / benzene / 12 h / Heating

2: 80 percent / 24 h / Heating

3: MeONa / 3 h / Heating

With sodium methylate; triethylamine; In benzene;

upstream raw materials:

2,5-diphenyl-2H-tetrazole

phenylpropynoic acid methyl ester

methyl 1,3,4-triphenyl-5-benzoylamino-2-pyrazoline-5-carboxylate

N-phenylbenzohydrazonoyl chloride

Downstream raw materials:

3-oxo-N-phenyl-2-[5-(2,4,5-triphenyl-2H-pyrazol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-butyramide

3-[5-(2,4,5-triphenyl-2H-pyrazol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-pentane-2,4-dione

1-[(1,3,4-Triphenyl)pyrazole-5-carbonyl]thiosemicarbazide

5-(2,4,5-triphenyl-2H-pyrazol-3-yl)-3H-[1,3,4]oxadiazole-2-thione