3-((10-Ethyl-11-phenyldibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol

Base Information

Chemical Name:3-((10-Ethyl-11-phenyldibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol
CAS No.:85850-89-1
Molecular Formula:C₂₅H₂₄O₄
Molecular Weight:388.463
Hs Code.:
UNII:D654LM20YZ
DSSTox Substance ID:DTXSID901006414
Wikidata:Q27276157
ChEMBL ID:CHEMBL15162

Synonyms:BRN 5628300;UNII-D654LM20YZ;D654LM20YZ;3-((10-Ethyl-11-phenyldibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol;1,2-Propanediol, 3-((10-ethyl-11-phenyldibenz(b,f)oxepin-3-yl)oxy)-;85850-89-1;3-(2,3-Dihydroxypropoxy)-10-ethyl-11-phenyldibenzo(b,f)oxepin;3-((10-Ethyl-11-phenyldibenz(b,f)oxepin-3-yl)oxy)-1,2-propanediol;CHEMBL15162;DTXSID901006414;LS-120444;Q27276157;3-[(10-Ethyl-11-phenyldibenzo[b,f]oxepin-3-yl)oxy]propane-1,2-diol

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

Supply Marketing:

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

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Chemical Property of 3-((10-Ethyl-11-phenyldibenz(b,f)oxepin-3-yl)oxy)1,2-propanediol

Chemical Property:

Vapor Pressure:2.89E-14mmHg at 25°C
Boiling Point:579.4°C at 760 mmHg
Flash Point:304.2°C
Density:1.22g/cm³
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:388.16745924
Heavy Atom Count:29
Complexity:553

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)OC3=CC=CC=C31)C4=CC=CC=C4

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

There total 12 articles about 3-((10-Ethyl-11-phenyldibenz(b,f)oxepin-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

: 85850-89-1
3-(2,3-dihydroxypropoxy)-10-ethyl-11-phenyldibenz[b,f]oxepin

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:

: 21905-75-9
2-carboxy-5'-methoxy-diphenyl ether

: 85850-89-1
3-(2,3-dihydroxypropoxy)-10-ethyl-11-phenyldibenz[b,f]oxepin

Guidance literature:: Multi-step reaction with 11 steps

1: 97 percent / LiAlH₄ / diethyl ether; tetrahydrofuran / 4 h / Heating

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

3: ethanol; H₂O / 12 h / Heating

4: 76 percent / aq. KOH / ethanol / 3 h / Heating

5: 83 percent / polyphosphoric acid / toluene / 4 h / Heating

6: 95 percent / tetrabutylammonium hydrogen sulfate, aq. NaOH / CH₂Cl₂ / 0.5 h

7: 58 percent / pyridine hydrochloride / 0.5 h / 210 °C

8: 90 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; sodium hydroxide; osmium(VIII) oxide; lithium aluminium tetrahydride; n-butyllithium; thionyl chloride; PPA; hydrogen sulfide; tetra(n-butyl)ammonium hydrogensulfate; pyridine hydrochloride; potassium carbonate; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane; water; acetone; toluene;
DOI:10.1021/jm00362a009

Reference yield:

: 85850-99-3
2-(3-methoxyphenoxy)benzyl chloride

: 85850-89-1
3-(2,3-dihydroxypropoxy)-10-ethyl-11-phenyldibenz[b,f]oxepin

Guidance literature:: Multi-step reaction with 9 steps

1: ethanol; H₂O / 12 h / Heating

2: 76 percent / aq. KOH / ethanol / 3 h / Heating

3: 83 percent / polyphosphoric acid / toluene / 4 h / Heating

4: 95 percent / tetrabutylammonium hydrogen sulfate, aq. NaOH / CH₂Cl₂ / 0.5 h

5: 58 percent / pyridine hydrochloride / 0.5 h / 210 °C

6: 90 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; sodium hydroxide; osmium(VIII) oxide; n-butyllithium; PPA; hydrogen sulfide; tetra(n-butyl)ammonium hydrogensulfate; pyridine hydrochloride; potassium carbonate; In ethanol; dichloromethane; water; acetone; toluene;
DOI:10.1021/jm00362a009