1H-Pyrazole-3-propanol, 1-(cyclohexylmethyl)-5-[4-(methylthio)phenyl]-

Base Information

Chemical Name:1H-Pyrazole-3-propanol, 1-(cyclohexylmethyl)-5-[4-(methylthio)phenyl]-
CAS No.:654058-98-7
Molecular Formula:C20H28N2OS
Molecular Weight:344.521
Hs Code.:
DSSTox Substance ID:DTXSID10463561
Wikidata:Q82288495

Synonyms:654058-98-7;1H-Pyrazole-3-propanol, 1-(cyclohexylmethyl)-5-[4-(methylthio)phenyl]-;SCHEMBL4963869;DTXSID10463561

Suppliers and Price of 1H-Pyrazole-3-propanol, 1-(cyclohexylmethyl)-5-[4-(methylthio)phenyl]-

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
Packaging
price

Total 1 raw suppliers

Chemical Property of 1H-Pyrazole-3-propanol, 1-(cyclohexylmethyl)-5-[4-(methylthio)phenyl]-

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:344.19223469
Heavy Atom Count:24
Complexity:354

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC=C(C=C1)C2=CC(=NN2CC3CCCCC3)CCCO

Technology Process of 1H-Pyrazole-3-propanol, 1-(cyclohexylmethyl)-5-[4-(methylthio)phenyl]-

There total 11 articles about 1H-Pyrazole-3-propanol, 1-(cyclohexylmethyl)-5-[4-(methylthio)phenyl]- 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: 64.0%

: 654058-95-4
methyl (2E)-3-[1-(cyclohexylmethyl)-5-(4-methylthiophenyl)pyrazol-3-yl]prop-2-enoate

: 654058-96-5
(2E)-3-(1-(cyclohexylmethyl)-5-(4-methylthiophenyl)pyrazol-3-yl)prop-2-en-ol-1

: 654058-98-7
3-(1-(cyclohexylmethyl)-5-(4-methylthiophenyl)pyrazol-3-yl)propan-1-ol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃;
DOI:10.1021/jm030276s

Reference yield: 31.0%

: 654058-95-4
methyl (2E)-3-[1-(cyclohexylmethyl)-5-(4-methylthiophenyl)pyrazol-3-yl]prop-2-enoate

: 654058-98-7
3-(1-(cyclohexylmethyl)-5-(4-methylthiophenyl)pyrazol-3-yl)propan-1-ol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃;
DOI:10.1021/jm030276s

Reference yield:

: 1778-09-2
4-(Methylthio)acetophenone

: 654058-98-7
3-(1-(cyclohexylmethyl)-5-(4-methylthiophenyl)pyrazol-3-yl)propan-1-ol

Guidance literature:: Multi-step reaction with 6 steps

1.1: 79 percent / sodium methoxide / toluene / 2 h / 20 °C

2.1: 57 percent / trifluoroacetic acid / methanol / 70 °C

3.1: 76 percent / LiAlH₄ / tetrahydrofuran / 20 °C

4.1: 93 percent / oxalyl chloride; DMSO; triethylamine / CH₂Cl₂ / -78 - 0 °C

5.1: BuLi / tetrahydrofuran; hexane / -78 °C

5.2: 88 percent / tetrahydrofuran; hexane / 20 °C

6.1: 31 percent / LiAlH₄ / tetrahydrofuran / 20 °C

With lithium aluminium tetrahydride; n-butyllithium; oxalyl dichloride; sodium methylate; dimethyl sulfoxide; triethylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; hexane; dichloromethane; toluene;
DOI:10.1021/jm030276s