3-(4-Fluorophenyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazole-1-carbothioamide

Base Information

Chemical Name:3-(4-Fluorophenyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CAS No.:870680-36-7
Molecular Formula:C₁₄H₁₂FN₃OS
Molecular Weight:289.333
Hs Code.:
ChEMBL ID:CHEMBL225234
DSSTox Substance ID:DTXSID90469743
Nikkaji Number:J2.272.247F
Mol file:870680-36-7.mol

Synonyms:870680-36-7;3-(4-FLUOROPHENYL)-5-(FURAN-2-YL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE;CHEMBL225234;BDBM11009;DTXSID90469743;1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazole deriv. 6

Suppliers and Price of 3-(4-Fluorophenyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazole-1-carbothioamide

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

American Custom Chemicals Corporation
3-(4-FLUOROPHENYL)-5-(FURAN-2-YL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE 95.00%
5MG
$ 497.39

Total 3 raw suppliers

Chemical Property of 3-(4-Fluorophenyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazole-1-carbothioamide

Chemical Property:

PSA：86.85000
LogP:2.88720
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:289.06851135
Heavy Atom Count:20
Complexity:409

Purity/Quality:

95% ^*data from raw suppliers

3-(4-FLUOROPHENYL)-5-(FURAN-2-YL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(N(N=C1C2=CC=C(C=C2)F)C(=S)N)C3=CC=CO3

Technology Process of 3-(4-Fluorophenyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazole-1-carbothioamide

There total 5 articles about 3-(4-Fluorophenyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazole-1-carbothioamide 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: 50.0%

: 1565-90-8
1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one

: 79-19-6
thiosemicarbazide

: 870680-36-7
3-(4-fluoro-phenyl)-5-furan-2-yl-4,5-dihydro-pyrazole-1-carbothioic acid amide

Guidance literature:: With potassium hydroxide; In ethanol; Heating;
DOI:10.1021/jm040903t

Reference yield:

: 1565-90-8
(2E)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one

: 79-19-6
thiosemicarbazide

: 870680-36-7
3-(4-fluoro-phenyl)-5-furan-2-yl-4,5-dihydro-pyrazole-1-carbothioic acid amide

Guidance literature:: (2E)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one; thiosemicarbazide; In ethanol; at 80 ℃; for 1h;

With sodium hydroxide; In ethanol; for 4h;
DOI:10.1016/j.bmcl.2012.05.091

Reference yield:

: 403-42-9
1-(4-fluorophenyl)ethanone

: 870680-36-7
3-(4-fluoro-phenyl)-5-furan-2-yl-4,5-dihydro-pyrazole-1-carbothioic acid amide

Guidance literature:: Multi-step reaction with 2 steps

1: aq. KOH / ethanol

2: 50 percent / KOH / ethanol / Heating

With potassium hydroxide; In ethanol;
DOI:10.1021/jm040903t