1-(3,5-Difluoro-4-hydroxybenzyl)-1H-imidazole-2(3H)-thione

Base Information

Chemical Name:1-(3,5-Difluoro-4-hydroxybenzyl)-1H-imidazole-2(3H)-thione
CAS No.:95333-60-1
Molecular Formula:C₁₀H₈F₂N₂OS
Molecular Weight:242.249
Hs Code.:
DSSTox Substance ID:DTXSID20876204
Nikkaji Number:J271.842A
Wikidata:Q82857775
Pharos Ligand ID:67CAR2H1F3HT
ChEMBL ID:CHEMBL433493
Mol file:95333-60-1.mol

Synonyms:CHEMBL433493;95333-60-1;SCHEMBL10573932;DTXSID20876204;BDBM50014978;IMIDIAZOLE-2-THIONE,3-(3,5-DIFLUORO-4-HYDROXYBEN;1-(3,5-Difluoro-4-hydroxybenzyl)-1H-imidazole-2(3H)-thione;1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imidazole-2-thione

Suppliers and Price of 1-(3,5-Difluoro-4-hydroxybenzyl)-1H-imidazole-2(3H)-thione

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 3 raw suppliers

Chemical Property of 1-(3,5-Difluoro-4-hydroxybenzyl)-1H-imidazole-2(3H)-thione

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:242.03254038
Heavy Atom Count:16
Complexity:301

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CN(C(=S)N1)CC2=CC(=C(C(=C2)F)O)F

Technology Process of 1-(3,5-Difluoro-4-hydroxybenzyl)-1H-imidazole-2(3H)-thione

There total 4 articles about 1-(3,5-Difluoro-4-hydroxybenzyl)-1H-imidazole-2(3H)-thione 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:

: 124068-57-1
[1-(3,5-Difluoro-4-methoxy-phenyl)-meth-(E)-ylidene]-(2,2-dimethoxy-ethyl)-amine

: 95333-60-1
1-(4'-hydroxy-3',5'-difluorobenzyl)-1,3-dihydro-2H-imidazole-2-thione

Guidance literature:: Multi-step reaction with 3 steps

1: sodium borohydride / ethanol / 24 h / Ambient temperature

2: 12 N HCl / ethanol; H₂O / 2 h / Heating

3: BBr₃ / CH₂Cl₂ / 1.5 h

With hydrogenchloride; sodium tetrahydroborate; boron tribromide; In ethanol; dichloromethane; water;
DOI:10.1021/jm00386a008

Reference yield:

: 101471-18-5
N-(3,5-difluoro-4-methoxybenzyl)-aminoacetaldehyde dimethyl acetal

: 95333-60-1
1-(4'-hydroxy-3',5'-difluorobenzyl)-1,3-dihydro-2H-imidazole-2-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 12 N HCl / ethanol; H₂O / 2 h / Heating

2: BBr₃ / CH₂Cl₂ / 1.5 h

With hydrogenchloride; boron tribromide; In ethanol; dichloromethane; water;
DOI:10.1021/jm00386a008

Reference yield:

: 654-11-5
3,5-Difluoro-4-methoxybenzaldehyde

: 95333-60-1
1-(4'-hydroxy-3',5'-difluorobenzyl)-1,3-dihydro-2H-imidazole-2-thione

Guidance literature:: Multi-step reaction with 4 steps

1: 0.33 h / Heating

2: sodium borohydride / ethanol / 24 h / Ambient temperature

3: 12 N HCl / ethanol; H₂O / 2 h / Heating

4: BBr₃ / CH₂Cl₂ / 1.5 h

With hydrogenchloride; sodium tetrahydroborate; boron tribromide; In ethanol; dichloromethane; water;
DOI:10.1021/jm00386a008