6,11-Dihydro-11-hydroxy Dothiepin

Base Information

• Chemical Name: 6,11-Dihydro-11-hydroxy Dothiepin
• CAS No.: 1531-85-7
• Molecular Formula: C19H23NOS
• Molecular Weight: 313.464
• European Community (EC) Number: 604-888-6
• UNII: PEG7TA9R6Z
• DSSTox Substance ID: DTXSID70512928
• Mol file: 1531-85-7.mol

Synonyms:6,11-Dihydro-11-hydroxy Dothiepin;1531-85-7;11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepin-11-ol;11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]thiepin-11-ol;11-[3-(Dimethylamino)propyl]-6,11-dihydro-dibenzo[b,e]thiepin-11-ol;PEG7TA9R6Z;DTXSID70512928;AKOS005064508;FT-0666946;DOSULEPIN HYDROCHLORIDE IMPURITY C [EP IMPURITY];Dibenzo[b,e]thiepin-11-ol, 11-[3-(dimethylamino)propyl]-6,11-dihydro-;(11RS)-11-[3-(dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]thiepin-11-ol

Chemical Property of 6,11-Dihydro-11-hydroxy Dothiepin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 456.269°C at 760 mmHg
• Flash Point: 229.743°C
• PSA: 48.77000
• Density: 1.148g/cm³
• LogP: 3.87000
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicatd)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 313.15003553
• Heavy Atom Count: 22
• Complexity: 361

Purity/Quality:

99.9% ^*data from raw suppliers

6,11-Dihydro-11-hydroxyDothiepin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCC1(C2=CC=CC=C2CSC3=CC=CC=C31)O
• Uses: Dothiepin intermediate.

Technology Process of 6,11-Dihydro-11-hydroxy Dothiepin

There total 2 articles about 6,11-Dihydro-11-hydroxy Dothiepin 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-(Dimethylamino)propyl chloride (109-54-6) + dibenzo[b,e]thiepin-11(6H)-one (1531-77-7) → 11-oxo-11-(dimethylaminopropyl)-6,11-dihydrodibenz-(b,e)thiepin (1531-85-7)

Guidance literature:

3-(Dimethylamino)propyl chloride; With ethyl bromide; magnesium; In diethyl ether; for 2h; Heating / reflux;

dibenzo[b,e]thiepin-11(6H)-one; In diethyl ether; benzene; for 18h; Heating / reflux;

Reference yield:

→ 11-oxo-11-(dimethylaminopropyl)-6,11-dihydrodibenz-(b,e)thiepin (1531-85-7)

Guidance literature:

3-Dimethylamino-propylmagnesiumchlorid, 6,11-Dihydro-dibenzothiepinon-(11), sied. THF;

DOI:10.1002/hlca.19620450616

Reference yield:

11-oxo-11-(dimethylaminopropyl)-6,11-dihydrodibenz-(b,e)thiepin (1531-85-7) → dothiepin (113-53-1,25627-37-6,25627-38-7)

Guidance literature:

With sulfuric acid; In water; for 0.0833333h; Heating / reflux;

upstream raw materials:

3-(Dimethylamino)propyl chloride

dibenzo[b,e]thiepin-11(6H)-one

Downstream raw materials:

dothiepin

Refernces