3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin

Base Information

Chemical Name:3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin
CAS No.:85850-79-9
Molecular Formula:C₂₇H₂₉NOS
Molecular Weight:415.599
Hs Code.:
UNII:329EVP1Y4F
ChEMBL ID:CHEMBL274224

Synonyms:BRN 5631041;329EVP1Y4F;3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin;6H-DIBENZO(b,f)THIOCIN, 3-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYL-12-PHENYL-;Ethylamine, N,N-dimethyl-2-((11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-;85850-79-9;UNII-329EVP1Y4F;C27H29NOS;CHEMBL274224;C27-H29-N-O-S;LS-61502;ETHANAMINE, 2-((11-ETHYL-12-PHENYL-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-N,N-DIMETHYL-

Suppliers and Price of 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin

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)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin

Chemical Property:

Vapor Pressure:2.59E-12mmHg at 25°C
Boiling Point:554°Cat760mmHg
Flash Point:288.8°C
Density:1.114g/cm³
XLogP3:6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:415.19698572
Heavy Atom Count:30
Complexity:567

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

Technology Process of 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin

There total 11 articles about 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin 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-(2-Dimethylamino-ethoxy)-11-ethyl-12-phenyl-11,12-dihydro-6H-5-thia-dibenzo[a,e]cycloocten-12-ol

: 85850-79-9
[2-((Z)-11-Ethyl-12-phenyl-6H-5-thia-dibenzo[a,e]cycloocten-3-yloxy)-ethyl]-dimethyl-amine

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

Reference yield:

: 108-86-1,52753-63-6
bromobenzene

: 85850-79-9
[2-((Z)-11-Ethyl-12-phenyl-6H-5-thia-dibenzo[a,e]cycloocten-3-yloxy)-ethyl]-dimethyl-amine

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

: 85850-79-9
[2-((Z)-11-Ethyl-12-phenyl-6H-5-thia-dibenzo[a,e]cycloocten-3-yloxy)-ethyl]-dimethyl-amine

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

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