Phenol, p-(7-(allyloxy)-11-ethyldibenzo(b,f)thiepin-10-yl)-

Base Information

Chemical Name:Phenol, p-(7-(allyloxy)-11-ethyldibenzo(b,f)thiepin-10-yl)-
CAS No.:85850-86-8
Molecular Formula:C₂₅H₂₂O₂S
Molecular Weight:386.514
Hs Code.:2934999090
UNII:Q30719JT9V
DSSTox Substance ID:DTXSID90235122
Nikkaji Number:J69.597A
ChEMBL ID:CHEMBL14881
Mol file:85850-86-8.mol

Synonyms:BRN 5621662;Phenol, p-(7-(allyloxy)-11-ethyldibenzo(b,f)thiepin-10-yl)-;85850-86-8;Q30719JT9V;p-(7-(Allyloxy)-11-ethyldibenzo(b,f)thiepin-10-yl)phenol;UNII-Q30719JT9V;CHEMBL14881;C25H22O2S;DTXSID90235122;C25-H22-O2-S;LS-103860;4-(7-Allyloxy-11-ethyldibenzo[b,f]thiepin-10-yl)phenol;PHENOL, 4-(11-ETHYL-7-(2-PROPEN-1-YLOXY)DIBENZO(B,F)THIEPIN-10-YL)-

Suppliers and Price of Phenol, p-(7-(allyloxy)-11-ethyldibenzo(b,f)thiepin-10-yl)-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Phenol, p-(7-(allyloxy)-11-ethyldibenzo(b,f)thiepin-10-yl)-

Chemical Property:

Vapor Pressure:8.84E-13mmHg at 25°C
Boiling Point:551.7°Cat760mmHg
Flash Point:287.4°C
PSA：54.76000
Density:1.189g/cm³
LogP:6.79070
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:386.13405111
Heavy Atom Count:28
Complexity:563

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)SC3=CC=CC=C31)C4=CC=C(C=C4)O

Technology Process of Phenol, p-(7-(allyloxy)-11-ethyldibenzo(b,f)thiepin-10-yl)-

There total 11 articles about Phenol, p-(7-(allyloxy)-11-ethyldibenzo(b,f)thiepin-10-yl)- 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:

: 7-Allyloxy-11-ethyl-10-[4-(tetrahydro-pyran-2-yloxy)-phenyl]-10,11-dihydro-dibenzo[b,f]thiepin-10-ol

: 85850-86-8
4-(7-Allyloxy-11-ethyl-dibenzo[b,f]thiepin-10-yl)-phenol

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

Reference yield:

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

: 85850-86-8
4-(7-Allyloxy-11-ethyl-dibenzo[b,f]thiepin-10-yl)-phenol

Guidance literature:: Multi-step reaction with 5 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.) NaH / 1.) DMF, oil, 15 min, 2.) DMF, 30 min

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

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

With hydrogenchloride; n-butyllithium; ammonia; pyridine hydrochloride; sodium; sodium hydride; ferric nitrate; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00362a009

Reference yield:

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

: 85850-86-8
4-(7-Allyloxy-11-ethyl-dibenzo[b,f]thiepin-10-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