2,3,4,5-Tetrahydro-1,5-benzothiazepine hydrochloride

Base Information

• Chemical Name: 2,3,4,5-Tetrahydro-1,5-benzothiazepine hydrochloride
• CAS No.: 58121-91-8
• Molecular Formula: C9H12ClNS
• Molecular Weight: 201.7163
• DSSTox Substance ID: DTXSID40206842
• Mol file: 58121-91-8.mol

Synonyms:2,3,4,5-Tetrahydro-1,5-benzothiazepine hydrochloride;58121-91-8;1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride;2,3,4,5-tetrahydro-1,5-benzothiazepine;hydrochloride;DTXSID40206842;EN300-260965;2,3,4,5-Tetrahydro-1,5-benzothiazepinehydrochloride

Chemical Property of 2,3,4,5-Tetrahydro-1,5-benzothiazepine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00206mmHg at 25°C
• Boiling Point: 290.6°C at 760 mmHg
• Flash Point: 129.5°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 201.0378983
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=CC=CC=C2SC1.Cl

Technology Process of 2,3,4,5-Tetrahydro-1,5-benzothiazepine hydrochloride

There total 2 articles about 2,3,4,5-Tetrahydro-1,5-benzothiazepine 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:

2,3,4,5-tetrahydro-benzo[b][1,4]thiazepine (40358-33-6) → 2,3,4,5-Tetrahydro-1,5-benzothiazepin hydrochloride (58121-91-8)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃;

DOI:10.1021/jo902177p

Reference yield:

thiochroman-4-one oxime (15857-68-8) → 2,3,4,5-Tetrahydro-1,5-benzothiazepin hydrochloride (58121-91-8)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloroaluminum hydride / cyclopentyl methyl ether / 2.25 h / 0 - 20 °C

2: hydrogenchloride / diethyl ether / 20 °C

With hydrogenchloride; dichloroaluminum hydride; In diethyl ether; cyclopentyl methyl ether;

DOI:10.3390/molecules17067348

upstream raw materials:

2,3,4,5-tetrahydro-benzo[b][1,4]thiazepine

thiochroman-4-one oxime