(S)-(+)-3-[1-(2-methylphenyl)2-imidazolylsulfinyl]propanol

Base Information

Chemical Name:(S)-(+)-3-[1-(2-methylphenyl)2-imidazolylsulfinyl]propanol
CAS No.:161190-55-2
Molecular Formula:C13H16N2O2S
Molecular Weight:264.348
Hs Code.:
DSSTox Substance ID:DTXSID70455523
Wikidata:Q82277579
Mol file:161190-55-2.mol

Synonyms:161190-55-2;SCHEMBL9016862;DTXSID70455523;XZPGXEMWBSYFKR-SFHVURJKSA-N;(S)-(+)-3-[1-(2-methylphenyl)2-imidazolylsulfinyl]propanol;3-[(S)-[1-(2-methylphenyl)imidazol-2-yl]sulfinyl]propan-1-ol

Suppliers and Price of (S)-(+)-3-[1-(2-methylphenyl)2-imidazolylsulfinyl]propanol

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 (S)-(+)-3-[1-(2-methylphenyl)2-imidazolylsulfinyl]propanol

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:264.09324893
Heavy Atom Count:18
Complexity:288

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1N2C=CN=C2S(=O)CCCO
Isomeric SMILES:CC1=CC=CC=C1N2C=CN=C2[S@@](=O)CCCO

Technology Process of (S)-(+)-3-[1-(2-methylphenyl)2-imidazolylsulfinyl]propanol

There total 4 articles about (S)-(+)-3-[1-(2-methylphenyl)2-imidazolylsulfinyl]propanol 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: 54.9%

: 161190-54-1
3-(1-o-tolyl-1H-imidazol-2-ylsulfanyl)propan-1-ol

: 161190-55-2
(S)-3-(1-o-tolyl-1H-imidazol-2-ylsulfanyl)propan-1-ol

Guidance literature:: With Cumene hydroperoxide; Zeolite 3A; (R)-Mandelic Acid; titanium(IV) isopropylate; In dichloromethane; at 25 ℃;
DOI:10.1016/S0040-4020(01)00152-1

Reference yield:

: 25372-14-9
N-(2-methylphenyl)-2-mercaptoimidazole

: 161190-55-2
(S)-3-(1-o-tolyl-1H-imidazol-2-ylsulfanyl)propan-1-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 99.8 percent / aq. NaOH / propan-2-ol / 2.5 h / Heating

2: 54.9 percent / R-(-)-mandelic acid; cumene hydroperoxide; zeolite 3A / Ti(OⁱPr)4 / CH₂Cl₂ / 25 °C

With sodium hydroxide; Cumene hydroperoxide; Zeolite 3A; (R)-Mandelic Acid; titanium(IV) isopropylate; In dichloromethane; isopropyl alcohol;
DOI:10.1016/S0040-4020(01)00152-1

Reference yield:

: 614-69-7
2-tolyl isothiocyanate

: 161190-55-2
(S)-3-(1-o-tolyl-1H-imidazol-2-ylsulfanyl)propan-1-ol

Guidance literature:: Multi-step reaction with 3 steps

1.1: methanol / 1 h / 6 - 38 °C

1.2: 92.1 percent / conc. HCl / 1 h / 37 - 50 °C

2.1: 99.8 percent / aq. NaOH / propan-2-ol / 2.5 h / Heating

3.1: 54.9 percent / R-(-)-mandelic acid; cumene hydroperoxide; zeolite 3A / Ti(OⁱPr)4 / CH₂Cl₂ / 25 °C

With sodium hydroxide; Cumene hydroperoxide; Zeolite 3A; (R)-Mandelic Acid; titanium(IV) isopropylate; In methanol; dichloromethane; isopropyl alcohol;
DOI:10.1016/S0040-4020(01)00152-1