3-(2-(Dimethylamino)ethoxy)-10-ethyl-11-(4-hydroxyphenyl)dibenzo(b,f)thiepin ethyl acetate

Base Information

Chemical Name:3-(2-(Dimethylamino)ethoxy)-10-ethyl-11-(4-hydroxyphenyl)dibenzo(b,f)thiepin ethyl acetate
CAS No.:85850-74-4
Molecular Formula:C₂₆H₂₇NO₂S
Molecular Weight:417.572
Hs Code.:
UNII:WJ65BC544Q
DSSTox Substance ID:DTXSID80235116
ChEMBL ID:CHEMBL14711

Synonyms:WJ65BC544Q;UNII-WJ65BC544Q;3-(2-(Dimethylamino)ethoxy)-10-ethyl-11-(4-hydroxyphenyl)dibenzo(b,f)thiepin ethyl acetate;85850-74-4;4-(7-(2-(Dimethylamino)ethoxy)-11-ethyldibenzo(b,f)thiepin-10-yl)phenol;CHEMBL14711;DTXSID80235116;C26H27NO2S.1/5C4H8O2;LS-104434;C26-H27-N-O2-S.1/5C4-H8-O2;PHENOL, 4-(7-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYLDIBENZO(B,F)THIEPIN-10-YL)-;4-(5-(2-(DIMETHYLAMINO)ETHOXY)-10-ETHYL-2-THIATRICYCLO(9.4.0.0(3,8))PENTADECA-1(11),3,5,7,9,12,14-HEPTAEN-9-YL)PHENOL

Suppliers and Price of 3-(2-(Dimethylamino)ethoxy)-10-ethyl-11-(4-hydroxyphenyl)dibenzo(b,f)thiepin ethyl acetate

Supply Marketing:

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

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Chemical Property of 3-(2-(Dimethylamino)ethoxy)-10-ethyl-11-(4-hydroxyphenyl)dibenzo(b,f)thiepin ethyl acetate

Chemical Property:

Vapor Pressure:1.31E-13mmHg at 25°C
Boiling Point:570.3°Cat760mmHg
Flash Point:298.7°C
Density:1.181g/cm³
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:417.17625028
Heavy Atom Count:30
Complexity:584

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

Technology Process of 3-(2-(Dimethylamino)ethoxy)-10-ethyl-11-(4-hydroxyphenyl)dibenzo(b,f)thiepin ethyl acetate

There total 11 articles about 3-(2-(Dimethylamino)ethoxy)-10-ethyl-11-(4-hydroxyphenyl)dibenzo(b,f)thiepin ethyl acetate 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-(2-Dimethylamino-ethoxy)-11-ethyl-10-[4-(tetrahydro-pyran-2-yloxy)-phenyl]-10,11-dihydro-dibenzo[b,f]thiepin-10-ol

: 85850-74-4
3-[2-(dimethylamino)ethoxy]-10-ethyl-11-(4-hydroxyphenyl)dibenzo[b,f]thiepin

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

: 85850-74-4
3-[2-(dimethylamino)ethoxy]-10-ethyl-11-(4-hydroxyphenyl)dibenzo[b,f]thiepin

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: 62 percent / K₂CO₃ / acetone; dimethylformamide / 18 h / Heating

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; potassium carbonate; ferric nitrate; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm00362a009

Reference yield:

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

: 85850-74-4
3-[2-(dimethylamino)ethoxy]-10-ethyl-11-(4-hydroxyphenyl)dibenzo[b,f]thiepin

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