Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methylbenzylidene)-2-propyl-3-p-tolyl-5,5-dioxide, (3-alpha,3a-alpha,7Z)-

Base Information

Chemical Name:Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methylbenzylidene)-2-propyl-3-p-tolyl-5,5-dioxide, (3-alpha,3a-alpha,7Z)-
CAS No.:83376-84-5
Molecular Formula:C₂₄H₂₈N₂O₂S
Molecular Weight:408.565
Hs Code.:
Wikidata:Q76389028

Synonyms:BRN 1048553;83376-84-5;Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methylbenzylidene)-2-propyl-3-p-tolyl-5,5-dioxide, (3-alpha,3a-alpha,7Z)-

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

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Chemical Property of Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methylbenzylidene)-2-propyl-3-p-tolyl-5,5-dioxide, (3-alpha,3a-alpha,7Z)-

Chemical Property:

Vapor Pressure:1.06E-15mmHg at 25°C
Boiling Point:609.3°Cat760mmHg
Flash Point:322.3°C
Density:1.22g/cm³
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:408.18714931
Heavy Atom Count:29
Complexity:618

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCSN1C(C2CC(CC(=CC3=CC=CC=C3)C2=N1)(O)O)C4=CC=C(C=C4)C
Isomeric SMILES:CCCSN1[C@@H]([C@H]2CC(C/C(=C\C3=CC=CC=C3)/C2=N1)(O)O)C4=CC=C(C=C4)C

Technology Process of Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methylbenzylidene)-2-propyl-3-p-tolyl-5,5-dioxide, (3-alpha,3a-alpha,7Z)-

There total 3 articles about Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methylbenzylidene)-2-propyl-3-p-tolyl-5,5-dioxide, (3-alpha,3a-alpha,7Z)- 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: 3.0%

: 5039-61-2
n-propylhydrazine

: 70343-39-4
(3Z,5Z)-3,5-bis[(4-methylphenyl)methylene]tetrahydro-4H-thiopyran-4-one 1,1-dioxide

: 70343-30-5,83376-84-5
7-((Z)-4-methyl-benzylidene)-2-propyl-3-p-tolyl-2,3,3a,4,6,7-hexahydro-thiopyrano[4,3-c]pyrazole 5,5-dioxide

: 83319-90-8
7-((Z)-4-methyl-benzylidene)-1-propyl-3-p-tolyl-1,4,6,7-tetrahydro-thiopyrano[4,3-c]pyrazole 5,5-dioxide

Guidance literature:: In methanol; Heating;
DOI:10.1021/jm00354a018

Reference yield:

: 104-87-0
4-methyl-benzaldehyde

: 70343-30-5,83376-84-5
7-((Z)-4-methyl-benzylidene)-2-propyl-3-p-tolyl-2,3,3a,4,6,7-hexahydro-thiopyrano[4,3-c]pyrazole 5,5-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / conc. HCl / ethanol / Heating

2: 57 percent / methanol / Heating

With hydrogenchloride; In methanol; ethanol;
DOI:10.1021/jm00354a018