1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion

Base Information

Chemical Name:1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion
CAS No.:79071-33-3
Molecular Formula:C17H14N2OS
Molecular Weight:294.377
Hs Code.:
ChEMBL ID:CHEMBL1971057
DSSTox Substance ID:DTXSID80407295
NSC Number:619156
Wikidata:Q82212545

Synonyms:NSC619156;SBB061767;79071-33-3;1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion;CHEMBL1971057;DTXSID80407295;AKOS025117029;NSC-619156;NCI60_005693

Suppliers and Price of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:294.08268425
Heavy Atom Count:21
Complexity:459

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=S)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Technology Process of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion

There total 5 articles about 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion 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: 74.0%

: 62574-33-8
(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)(phenyl)methanone

: 79071-33-3
4-benzoyl-3-methyl-1-phenyl-2-pyrazoline-5-thione

Guidance literature:: With sodium sulfide hydrate; In N,N-dimethyl-formamide; at 60 ℃;
DOI:10.1016/j.bmcl.2013.02.064

Reference yield: 40.0%

: 62574-33-8
(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)(phenyl)methanone

: Bis(4-benzoyl-3-methyl-1-phenyl-pyrazol)-5-thioether

: 79071-33-3
4-benzoyl-3-methyl-1-phenyl-2-pyrazoline-5-thione

Guidance literature:: With hydrogen sulfide; sodium; In ethanol; for 0.25h; Heating;

Reference yield:

: 98-88-4
benzoyl chloride

: 79071-33-3
4-benzoyl-3-methyl-1-phenyl-2-pyrazoline-5-thione

Guidance literature:: Multi-step reaction with 3 steps

1.1: calcium hydroxide / 1,4-dioxane / 0.17 h / 40 °C

1.2: 4 h / Reflux

2.1: trichlorophosphate / 2 h / Reflux

3.1: sodium sulfide hydrate / N,N-dimethyl-formamide / 60 °C

With sodium sulfide hydrate; calcium hydroxide; trichlorophosphate; In 1,4-dioxane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2013.02.064