1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(2-propenylthio)-

Base Information

Chemical Name:1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(2-propenylthio)-
CAS No.:160348-38-9
Molecular Formula:C14H14N2OS
Molecular Weight:258.344
Hs Code.:
DSSTox Substance ID:DTXSID10434599
Nikkaji Number:J604.389E
Wikidata:Q82249059
Mol file:160348-38-9.mol

Synonyms:1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(2-propenylthio)-;160348-38-9;DTXSID10434599;5-allylsulfanyl-3-methyl-1-phenylpyrazole-4-carbaldehyde;1-Phenyl-3-methyl-5-(allylthio)-1H-pyrazole-4-carbaldehyde

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Supply Marketing:

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

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Chemical Property of 1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(2-propenylthio)-

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:258.08268425
Heavy Atom Count:18
Complexity:292

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C(=C1C=O)SCC=C)C2=CC=CC=C2

Technology Process of 1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(2-propenylthio)-

There total 2 articles about 1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(2-propenylthio)- 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%

: 947-95-5
5-chloro-4-formyl-3-methyl-1-phenyl-1H-pyrazole

: 106-95-6
allyl bromide

: 160348-38-9
5?(allylsulfanyl)?3?methyl?1?phenyl?1H?pyrazole?4?carbaldehyde,

Guidance literature:: 5-chloro-4-formyl-3-methyl-1-phenyl-1H-pyrazole; With sodium sulfide; In dimethyl sulfoxide; at 20 ℃; for 0.25h;

allyl bromide; In dimethyl sulfoxide; at 20 ℃; for 0.333333h;
DOI:10.1007/s11030-019-09958-z

Reference yield:

: 89-25-8
edaravone

: 160348-38-9
5?(allylsulfanyl)?3?methyl?1?phenyl?1H?pyrazole?4?carbaldehyde,

Guidance literature:: Multi-step reaction with 2 steps

1.1: trichlorophosphate / 0 - 85 °C

2.1: sodium sulfide / dimethyl sulfoxide / 0.25 h / 20 °C

2.2: 0.33 h / 20 °C

With sodium sulfide; trichlorophosphate; In dimethyl sulfoxide; 1.1: |Vilsmeier-Haack Formylation;
DOI:10.1007/s11030-019-09958-z