(+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide

Base Information

Chemical Name:(+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide
CAS No.:124645-45-0
Molecular Formula:C₂₂H₂₇ClN₂OS₂
Molecular Weight:435.054
Hs Code.:
DSSTox Substance ID:DTXSID20924890
Mol file:124645-45-0.mol

Synonyms:BRN 4569395;(+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide;124645-45-0;Acetamide, 2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)-N-(2-(diethylamino)ethyl)-, (+-)-;C22H27ClN2OS2;DTXSID20924890;C22-H27-Cl-N2-O-S2;LS-8488;2-[(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)sulfanyl]-N-[2-(diethylamino)ethyl]ethanimidic acid

Suppliers and Price of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide

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
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price

Total 1 raw suppliers

Chemical Property of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide

Chemical Property:

Vapor Pressure:9.83E-14mmHg at 25°C
Boiling Point:586.4°Cat760mmHg
Flash Point:308.4°C
Density:1.26g/cm³
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:434.1253335
Heavy Atom Count:28
Complexity:491

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)CCNC(=O)CSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Technology Process of (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide

There total 7 articles about (+-)-N-(2-Diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)acetamide 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: 28.0%

: 134674-00-3
(2-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-ylsulfanyl)-acetic acid ethyl ester

: 100-36-7
N,N-diethylethylenediamine

: 124645-45-0
N-(2-diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzothiepin-10-ylthio)acetamide

Guidance literature:: In toluene; for 6h; Heating;

Reference yield:

: 133242-15-6
2-chloro-10,11-dihydrodibenzothiepin-10-thiol

: 124645-45-0
N-(2-diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzothiepin-10-ylthio)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: sodium ethoxide / ethanol / 6 h / Heating

2: 28 percent / toluene / 6 h / Heating

With sodium ethanolate; In ethanol; toluene;

Reference yield:

: 134673-95-3
4-(2-chloro-10,11-dihydrodibenzothiepin-10-ylthio)butyric acid

: 124645-45-0
N-(2-diethylaminoethyl)-2-(2-chloro-10,11-dihydrodibenzothiepin-10-ylthio)acetamide

Guidance literature:: Multi-step reaction with 5 steps

1: SOCl₂ / benzene / 1) 1h room temperature 2) 1.5 h reflux

2: 94 percent / dimethylformamide / 3.5 h / 80 °C

3: 88 percent / NaOH / H₂O / 2 h / Heating

4: sodium ethoxide / ethanol / 6 h / Heating

5: 28 percent / toluene / 6 h / Heating

With sodium hydroxide; thionyl chloride; sodium ethanolate; In ethanol; water; N,N-dimethyl-formamide; toluene; benzene;