1,3-Propanediol, 1-[2-[(4-methylphenyl)thio]phenyl]-, (1R)-

Base Information

Chemical Name:1,3-Propanediol, 1-[2-[(4-methylphenyl)thio]phenyl]-, (1R)-
CAS No.:835626-77-2
Molecular Formula:C16H18O2S
Molecular Weight:274.384
Hs Code.:
DSSTox Substance ID:DTXSID10479602
Wikidata:Q82313721

Synonyms:835626-77-2;1,3-Propanediol, 1-[2-[(4-methylphenyl)thio]phenyl]-, (1R)-;DTXSID10479602

Suppliers and Price of 1,3-Propanediol, 1-[2-[(4-methylphenyl)thio]phenyl]-, (1R)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,3-Propanediol, 1-[2-[(4-methylphenyl)thio]phenyl]-, (1R)-

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:274.10275099
Heavy Atom Count:19
Complexity:251

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)SC2=CC=CC=C2C(CCO)O
Isomeric SMILES:CC1=CC=C(C=C1)SC2=CC=CC=C2[C@@H](CCO)O

Technology Process of 1,3-Propanediol, 1-[2-[(4-methylphenyl)thio]phenyl]-, (1R)-

There total 2 articles about 1,3-Propanediol, 1-[2-[(4-methylphenyl)thio]phenyl]-, (1R)- 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: 56.0%

: 835626-69-2
(S)-{3-[2-(p-tolylsulfinyl)phenyl]propoxy}triisopropylsilane

: 835626-77-2
(1R)-1-[2-(p-tolylsulfanyl)phenyl]-propan-1,3-diol

Guidance literature:: (S)-{3-[2-(p-tolylsulfinyl)phenyl]propoxy}triisopropylsilane; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

With chloro-trimethyl-silane; In tetrahydrofuran; hexane; at -78 ℃; for 0.0166667h;

With ammonium chloride; In tetrahydrofuran; hexane; acetonitrile; at -78 - 20 ℃;
DOI:10.1021/ol048054r

Reference yield:

: 10381-68-7,42872-16-2,78821-95-1,1517-78-8
(S)-2-methyl-1-(p-tolylsulfinyl)benzene

: 835626-77-2
(1R)-1-[2-(p-tolylsulfanyl)phenyl]-propan-1,3-diol

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium diisopropylamide / tetrahydrofuran; hexane / 1 h / -78 °C

1.2: 55 percent / tetrahydrofuran; hexane / 0.02 h / -78 °C

2.1: lithium diisopropylamide / tetrahydrofuran; hexane / 1 h / -78 °C

2.2: chlorotrimethylsilane / tetrahydrofuran; hexane / 0.02 h / -78 °C

2.3: 56 percent / NH₄Cl / tetrahydrofuran; hexane; acetonitrile / -78 - 20 °C

With lithium diisopropyl amide; In tetrahydrofuran; hexane; 2.2: vinylogous Pummerer rearrangement;
DOI:10.1021/ol048054r

Reference yield:

: 39637-99-5,20445-33-4
(S)-(+)-2-methoxy-2-trifluoromethyl-2-phenylacetyl chloride

: 18162-48-6
tert-butyldimethylsilyl chloride

: 835626-77-2
(1R)-1-[2-(p-tolylsulfanyl)phenyl]-propan-1,3-diol

: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid 3-(tert-butyl-dimethyl-silanyloxy)-1-(2-p-tolylsulfanyl-phenyl)-propyl ester

Guidance literature:: tert-butyldimethylsilyl chloride; (1R)-1-[2-(p-tolylsulfanyl)phenyl]-propan-1,3-diol; With dmap; triethylamine; In dichloromethane; for 12h;

(S)-(+)-2-methoxy-2-trifluoromethyl-2-phenylacetyl chloride; With dmap; triethylamine; In dichloromethane;
DOI:10.1021/ol048054r