3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol

Base Information

Chemical Name:3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol
CAS No.:85850-90-4
Molecular Formula:C₂₅H₂₄O₃S
Molecular Weight:404.53
Hs Code.:
UNII:QP590C0L4U
DSSTox Substance ID:DTXSID601006415
ChEMBL ID:CHEMBL277605

Synonyms:QP590C0L4U;UNII-QP590C0L4U;85850-90-4;3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol;CHEMBL277605;DTXSID601006415;C25H24O3S.1/2C3H8O;LS-120442;C25-H24-O3-S.1/2C3-H8-O;3-[(10-Ethyl-11-phenyldibenzo[b,f]thiepin-3-yl)oxy]propane-1,2-diol;1,2-PROPANEDIOL, 3-((10-ETHYL-11-PHENYLDIBENZO(B,F)THIEPIN-3-YL)OXY)-

Suppliers and Price of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-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-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol

Chemical Property:

Vapor Pressure:2.82E-15mmHg at 25°C
Boiling Point:600.6°C at 760 mmHg
Flash Point:317.1°C
Density:1.238g/cm³
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:404.14461580
Heavy Atom Count:29
Complexity:556

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)SC3=CC=CC=C31)C4=CC=CC=C4

Technology Process of 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-3-yl)oxy)1,2-propanediol

There total 12 articles about 3-((10-Ethyl-11-phenyldibenzo(b,f)thiepin-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:

: 108-86-1,52753-63-6
bromobenzene

: 85850-90-4
3-(10-Ethyl-11-phenyl-dibenzo[b,f]thiepin-3-yloxy)-propane-1,2-diol

Guidance literature:: Multi-step reaction with 4 steps

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

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

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

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

With hydrogenchloride; osmium(VIII) oxide; hydrogen sulfide; sodium hydride; phenyllithium; In ethanol;
DOI:10.1021/jm00362a009

Reference yield:

: 51723-75-2
7-methoxydibenzothiepin-10(11H)-one

: 85850-90-4
3-(10-Ethyl-11-phenyl-dibenzo[b,f]thiepin-3-yloxy)-propane-1,2-diol

Guidance literature:: Multi-step reaction with 6 steps

1: 57 percent / sodium, liq. NH₃, ferric nitrate / tetrahydrofuran / 1 h / -30 °C

2: 82 percent / pyridine hydrochloride / 0.5 h / 210 °C

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

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

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

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

With hydrogenchloride; osmium(VIII) oxide; hydrogen sulfide; ammonia; pyridine hydrochloride; sodium; sodium hydride; phenyllithium; ferric nitrate; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00362a009

Reference yield:

: 50900-42-0
2-(3-methoxyphenylthio)benzyl alcohol

: 85850-90-4
3-(10-Ethyl-11-phenyl-dibenzo[b,f]thiepin-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: 57 percent / sodium, liq. NH₃, ferric nitrate / tetrahydrofuran / 1 h / -30 °C

6: 82 percent / pyridine hydrochloride / 0.5 h / 210 °C

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

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

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

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

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