p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate

Base Information

Chemical Name:p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate
CAS No.:85850-88-0
Molecular Formula:C₂₆H₂₄O₂S
Molecular Weight:400.541
Hs Code.:
UNII:M404H80G98
ChEMBL ID:CHEMBL276335

Synonyms:p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate;Phenol, p-(3-(allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)-, hemihydrate;4-(11-Ethyl-3-(2-propen-1-yloxy)-6H-dibenzo(b,f)thiocin-12-yl)phenol;85850-88-0;CHEMBL276335;C26H24O2S.1/2H2O;M404H80G98;C26-H24-O2-S.1/2H2-O;LS-103861;PHENOL, 4-(11-ETHYL-3-(2-PROPEN-1-YLOXY)-6H-DIBENZO(B,F)THIOCIN-12-YL)-

Suppliers and Price of p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate

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 p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate

Chemical Property:

Vapor Pressure:9.06E-14mmHg at 25°C
Boiling Point:573.8°Cat760mmHg
Flash Point:300.8°C
Density:1.169g/cm³
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:400.14970118
Heavy Atom Count:29
Complexity:577

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

Technology Process of p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate

There total 11 articles about p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate 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:

: 3-Allyloxy-11-ethyl-12-[4-(tetrahydro-pyran-2-yloxy)-phenyl]-11,12-dihydro-6H-5-thia-dibenzo[a,e]cycloocten-12-ol

: 85850-88-0
4-((Z)-3-Allyloxy-11-ethyl-6H-5-thia-dibenzo[a,e]cycloocten-12-yl)-phenol

Guidance literature:: With hydrogenchloride; In ethanol; for 1h; Yield given; Heating;
DOI:10.1021/jm00362a009

Reference yield:

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

: 85850-88-0
4-((Z)-3-Allyloxy-11-ethyl-6H-5-thia-dibenzo[a,e]cycloocten-12-yl)-phenol

Guidance literature:: Multi-step reaction with 2 steps

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

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

With hydrogenchloride; n-butyllithium; In ethanol;
DOI:10.1021/jm00362a009

Reference yield:

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

: 85850-88-0
4-((Z)-3-Allyloxy-11-ethyl-6H-5-thia-dibenzo[a,e]cycloocten-12-yl)-phenol

Guidance literature:: Multi-step reaction with 10 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

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