3-((11-Ethyl-12-(4-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)1,2-propanediol

Base Information

Chemical Name:3-((11-Ethyl-12-(4-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)1,2-propanediol
CAS No.:85864-54-6
Molecular Formula:C₂₆H₂₆O₄S
Molecular Weight:434.556
Hs Code.:
UNII:TLA0QJD1NY
Wikidata:Q27290014
ChEMBL ID:CHEMBL278888

Synonyms:TLA0QJD1NY;UNII-TLA0QJD1NY;3-((11-Ethyl-12-(4-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)1,2-propanediol;1,2-Propanediol, 3-((11-ethyl-12-(p-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)-, hemihydrate;85864-54-6;CHEMBL278888;C26H26O4S.1/2H2O;C26-H26-O4-S.1/2H2-O;LS-120413;Q27290014;1,2-PROPANEDIOL, 3-((11-ETHYL-12-(4-HYDROXYPHENYL)-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-;1,2-PROPANEDIOL, 3-((11-ETHYL-12-(P-HYDROXYPHENYL)-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-

Suppliers and Price of 3-((11-Ethyl-12-(4-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)1,2-propanediol

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3-((11-Ethyl-12-(4-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)1,2-propanediol

Chemical Property:

Vapor Pressure:1.66E-18mmHg at 25°C
Boiling Point:663.5°Cat760mmHg
Flash Point:355°C
Density:1.267g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:434.15518048
Heavy Atom Count:31
Complexity:600

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(C2=C(C=C(C=C2)OCC(CO)O)SCC3=CC=CC=C31)C4=CC=C(C=C4)O
Isomeric SMILES:CC/C/1=C(/C2=C(C=C(C=C2)OCC(CO)O)SCC3=CC=CC=C31)\C4=CC=C(C=C4)O

Technology Process of 3-((11-Ethyl-12-(4-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)1,2-propanediol

There total 12 articles about 3-((11-Ethyl-12-(4-hydroxyphenyl)-6H-dibenzo(b,f)thiocin-3-yl)oxy)1,2-propanediol 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:

: 36603-49-3
4-(tetrahydropyran-2'-yloxy)-1-bromobenzene

: 85864-54-6
3-[(Z)-11-Ethyl-12-(4-hydroxy-phenyl)-6H-5-thia-dibenzo[a,e]cycloocten-3-yloxy]-propane-1,2-diol

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) BuLi / 1.) THF, -70 deg C, 1 h, 2.) THF, RT, 18 h

2: conc. HCl / ethanol / 1 h / Heating

3: 1.) OsO₄, 2.) H₂S / 1.) THF, RT, 18 h

With hydrogenchloride; osmium(VIII) oxide; n-butyllithium; hydrogen sulfide; In ethanol;
DOI:10.1021/jm00362a009

Reference yield:

: 49619-05-8
2-<<(3-methoxyphenyl)thio>methyl>benzoic acid

: 85864-54-6
3-[(Z)-11-Ethyl-12-(4-hydroxy-phenyl)-6H-5-thia-dibenzo[a,e]cycloocten-3-yloxy]-propane-1,2-diol

Guidance literature:: Multi-step reaction with 11 steps

1: LiAlH₄ / diethyl ether; tetrahydrofuran / 4 h / Heating

2: thionyl chloride / toluene / 1 h / 80 °C

3: ethanol; H₂O / 12 h / Heating

4: aq. KOH / ethanol / 3 h / Heating

5: polyphosphoric acid / toluene / 4 h / Heating

6: 45 percent / sodium, liq. NH₃, ferric nitrate / tetrahydrofuran / 1 h / -30 °C

7: 79 percent / pyridine hydrochloride / 0.5 h / 210 °C

8: 1.) NaH / 1.) DMF, oil, 15 min, 2.) DMF, 30 min

9: 1.) BuLi / 1.) THF, -70 deg C, 1 h, 2.) THF, RT, 18 h

10: conc. HCl / ethanol / 1 h / Heating

11: 1.) OsO₄, 2.) H₂S / 1.) THF, RT, 18 h

With hydrogenchloride; potassium hydroxide; osmium(VIII) oxide; lithium aluminium tetrahydride; n-butyllithium; thionyl chloride; PPA; hydrogen sulfide; ammonia; pyridine hydrochloride; sodium; sodium hydride; ferric nitrate; In tetrahydrofuran; diethyl ether; ethanol; water; toluene;
DOI:10.1021/jm00362a009

Reference yield:

: [2-(3-Methoxy-phenylsulfanylmethyl)-phenyl]-methanol

: 85864-54-6
3-[(Z)-11-Ethyl-12-(4-hydroxy-phenyl)-6H-5-thia-dibenzo[a,e]cycloocten-3-yloxy]-propane-1,2-diol

Guidance literature:: Multi-step reaction with 10 steps

1: thionyl chloride / toluene / 1 h / 80 °C

2: ethanol; H₂O / 12 h / Heating

3: aq. KOH / ethanol / 3 h / Heating

4: polyphosphoric acid / toluene / 4 h / Heating

5: 45 percent / sodium, liq. NH₃, ferric nitrate / tetrahydrofuran / 1 h / -30 °C

6: 79 percent / pyridine hydrochloride / 0.5 h / 210 °C

7: 1.) NaH / 1.) DMF, oil, 15 min, 2.) DMF, 30 min

8: 1.) BuLi / 1.) THF, -70 deg C, 1 h, 2.) THF, RT, 18 h

9: conc. HCl / ethanol / 1 h / Heating

10: 1.) OsO₄, 2.) H₂S / 1.) THF, RT, 18 h

With hydrogenchloride; potassium hydroxide; osmium(VIII) oxide; n-butyllithium; thionyl chloride; PPA; hydrogen sulfide; ammonia; pyridine hydrochloride; sodium; sodium hydride; ferric nitrate; In tetrahydrofuran; ethanol; water; toluene;
DOI:10.1021/jm00362a009