trans-Prothiadene hydrochloride

Base Information

Chemical Name:trans-Prothiadene hydrochloride
CAS No.:25627-36-5
Molecular Formula:C₁₉H₂₁NS*ClH
Molecular Weight:331.909
Hs Code.:

Synonyms:trans-Prothiadene hydrochloride;trans-dothiepin hydrochloride;[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium;chloride;CHEBI:36805;trans-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride;LS-61483;(3E)-3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride

Suppliers and Price of trans-Prothiadene hydrochloride

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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Total 0 raw suppliers

Chemical Property of trans-Prothiadene hydrochloride

Chemical Property:

Boiling Point:430.9°Cat760mmHg
Flash Point:214.4°C
PSA：28.54000
Density:g/cm³
LogP:5.47770
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:331.1161486
Heavy Atom Count:22
Complexity:363

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C[NH+](C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31.[Cl-]
Isomeric SMILES:C[NH+](C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31.[Cl-]

Technology Process of trans-Prothiadene hydrochloride

There total 10 articles about trans-Prothiadene hydrochloride 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: 46.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 130111-55-6
(E)-11-(3-Aminopropylidene)-6,11-dihydrodibenzothiepin Hydrochloride

: 25627-36-5
Dothiepin hydrochloride

Guidance literature:: With formic acid; sodium formate; In water; at 95 ℃; for 4h;
DOI:10.1248/cpb.38.1066

Reference yield:

: 1699-03-2
2-[(phenylthio)methyl]benzoic acid

: 25627-36-5
Dothiepin hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / polyphosphoric acid / 115 °C

2: 2.) conc. HCl, 3.) HCl-gas / 1.) THF, toluene, 65 deg C, 2 h, 2.) 1 h, 3.) 75 deg C, 1.5 h, ethanol

With hydrogenchloride; PPA;

Reference yield:

: 112930-52-6
6,11-Dihydro-11-vinyldibenzothiepin-11-ol

: 25627-36-5
Dothiepin hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1: 91 percent / SOCl₂ / CHCl₃ / 0.5 h / 0 °C

2: 44 percent / hexamethylphosphoamide / 1 h / 70 °C

3: NiCl₂, NaBH₄ / ethanol; dioxane; propan-2-ol / 5 h / 25 °C

4: hydrogen chloride, ethanol

5: 46 percent / sodium formate, formic acid / H₂O / 4 h / 95 °C

With hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; sodium tetrahydroborate; formic acid; thionyl chloride; ethanol; sodium formate; nickel dichloride; In 1,4-dioxane; ethanol; chloroform; water; isopropyl alcohol;
DOI:10.1248/cpb.38.1066