1,2-Propanediol, 3-((6-ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)-

Base Information

Chemical Name:1,2-Propanediol, 3-((6-ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)-
CAS No.:85850-91-5
Molecular Formula:C₂₇H₂₈O₃
Molecular Weight:400.518
Hs Code.:
UNII:372FQS0UEH
Nikkaji Number:J64.288F
ChEMBL ID:CHEMBL14898
Mol file:85850-91-5.mol

Synonyms:BRN 5630571;372FQS0UEH;85850-91-5;UNII-372FQS0UEH;1,2-Propanediol, 3-((6-ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)-;3-((6-Ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)-1,2-propanediol;3-((6-Ethyl-11,12-dihydro-5-phenyldibenzo(a,E)cycloocten-2-yl)oxy)-1,2-propanediol;3-[(6-Ethyl-5-phenyl-11,12-dihydrodibenzo[a,e]cycloocten-2-yl)oxy]-1,2-propanediol;CHEMBL14898;C27H28O3;LS-120445

Suppliers and Price of 1,2-Propanediol, 3-((6-ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)-

Supply Marketing:

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

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Chemical Property of 1,2-Propanediol, 3-((6-ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)-

Chemical Property:

Vapor Pressure:6.22E-15mmHg at 25°C
Boiling Point:593.5°C at 760 mmHg
Flash Point:312.7°C
PSA：49.69000
Density:1.16g/cm³
LogP:4.88630
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:400.20384475
Heavy Atom Count:30
Complexity:565

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1=C(C2=C(CCC3=CC=CC=C31)C=C(C=C2)OCC(CO)O)C4=CC=CC=C4
Isomeric SMILES:CC/C/1=C(/C2=C(CCC3=CC=CC=C31)C=C(C=C2)OCC(CO)O)\C4=CC=CC=C4

Technology Process of 1,2-Propanediol, 3-((6-ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)-

There total 12 articles about 1,2-Propanediol, 3-((6-ethyl-5-phenyl-11,12-dihydrodibenzo(a,e)cycloocten-2-yl)oxy)- 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

: 85850-91-5
3-((Z)-6-Ethyl-5-phenyl-11,12-dihydro-dibenzo[a,e]cycloocten-2-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:

: 17910-71-3
2-<2-(3-methoxyphenyl)ethyl>benzoic acid

: 85850-91-5
3-((Z)-6-Ethyl-5-phenyl-11,12-dihydro-dibenzo[a,e]cycloocten-2-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: 1.) LDA / 1.) hexane, THF, -70 deg C, 1.5 h, 2.) hexane, THF, from -70 deg C to RT

6: 55 percent / P₂O₅, MeSO₃H / 1 h / Ambient temperature

7: 90 percent / pyridine hydrochloride / 0.5 h / 210 °C

8: 93 percent / K₂CO₃ / acetone / 3 h / Heating

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; methanesulfonic acid; hydrogen sulfide; pyridine hydrochloride; phosphorus pentoxide; potassium carbonate; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; ethanol; water; acetone; toluene;
DOI:10.1021/jm00362a009

Reference yield:

: C₁₆H₁₇ClO

: 85850-91-5
3-((Z)-6-Ethyl-5-phenyl-11,12-dihydro-dibenzo[a,e]cycloocten-2-yloxy)-propane-1,2-diol

Guidance literature:: Multi-step reaction with 9 steps

1: ethanol; H₂O / 12 h / Heating

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

3: 1.) LDA / 1.) hexane, THF, -70 deg C, 1.5 h, 2.) hexane, THF, from -70 deg C to RT

4: 55 percent / P₂O₅, MeSO₃H / 1 h / Ambient temperature

5: 90 percent / pyridine hydrochloride / 0.5 h / 210 °C

6: 93 percent / K₂CO₃ / acetone / 3 h / Heating

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

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

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

With hydrogenchloride; potassium hydroxide; osmium(VIII) oxide; n-butyllithium; methanesulfonic acid; hydrogen sulfide; pyridine hydrochloride; phosphorus pentoxide; potassium carbonate; lithium diisopropyl amide; In ethanol; water; acetone;
DOI:10.1021/jm00362a009