1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole

Base Information

Chemical Name:1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole
CAS No.:588695-59-4
Molecular Formula:C11H8ClN3S
Molecular Weight:249.72
Hs Code.:
DSSTox Substance ID:DTXSID101205258
Mol file:588695-59-4.mol

Synonyms:1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole;588695-59-4;1-[(4-chlorophenyl)methyl]-3-isothiocyanatopyrazole;1-[(4-Chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole;1H-Pyrazole,1-[(4-chlorophenyl)methyl]-3-isothiocyanato-(9CI);1-(4-Chloro-benzyl)-3-isothiocyanato-1H-pyrazole;DTXSID101205258;AKOS000307026;EN300-229215;A923833

Suppliers and Price of 1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole

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

Crysdot
1-(4-Chlorobenzyl)-3-isothiocyanato-1H-pyrazole 95+%
1g
$ 583.00

Total 2 raw suppliers

Chemical Property of 1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:249.0127461
Heavy Atom Count:16
Complexity:272

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorobenzyl)-3-isothiocyanato-1H-pyrazole 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CN2C=CC(=N2)N=C=S)Cl

Technology Process of 1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole

There total 1 articles about 1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole 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:

: 925154-93-4
1-(4-chlorobenzyl)-1H-pyrazol-3-amine

: 463-71-8
thiophosgene

: 588695-59-4
C₁₁H₈ClN₃S

Guidance literature:: With sodium hydrogencarbonate; In chloroform; water; for 0.166667h;

Reference yield:

: 1251929-87-9
2-(3,5-dimethyl-1H-pyrazol-1-yl)propanohydrazide

: 588695-59-4
C₁₁H₈ClN₃S

: 1251930-22-9
C₁₉H₂₂ClN₇OS

Guidance literature:: In dichloromethane; for 1.5h;

Reference yield:

: 1251929-87-9
2-(3,5-dimethyl-1H-pyrazol-1-yl)propanohydrazide

: 588695-59-4
C₁₁H₈ClN₃S

: 1251929-09-5
N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine

Guidance literature:: Multi-step reaction with 2 steps

1.1: dichloromethane / 1.5 h

2.1: sulfuric acid / 1.5 h / 20 °C

2.2: Cooling with ice

With sulfuric acid; In dichloromethane;