Docloxythepin

Base Information

• Chemical Name: Docloxythepin
• CAS No.: 56934-18-0
• Deprecated CAS: 73201-37-3
• Molecular Formula: C₂₀H₂₃ClN₂OS
• Molecular Weight: 374.934
• DSSTox Substance ID: DTXSID60972375
• Nikkaji Number: J1.077D
• ChEMBL ID: CHEMBL3246256
• Mol file: 56934-18-0.mol

Synonyms:2-chloro-10-(4-(2-hydroxyethyl)piperazino)-10,11- dihydrodibenzo(b,f)thiepin;docloxythepin;docloxythepin, 14C-labeled;dokloxytepin;dokloxythepine

Chemical Property of Docloxythepin

Chemical Property:

• Vapor Pressure: 3.05E-11mmHg at 25°C
• Boiling Point: 510.4°Cat760mmHg
• Flash Point: 262.5°C
• PSA: 52.01000
• Density: 1.281g/cm³
• LogP: 3.57410
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 374.1219622
• Heavy Atom Count: 25
• Complexity: 432

Purity/Quality:

DOCLOXYTHEPIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Technology Process of Docloxythepin

There total 1 articles about Docloxythepin 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:

→ docloxythepin (56934-18-0,73201-37-3)

Guidance literature:

Chlorid XVIb, 1-(2-Hydroxyethyl)-piperazin (Methode II);

DOI:10.1135/cccc19752887

Reference yield: 81.0%

2-methoxyacetic acid (625-45-6) + docloxythepin (56934-18-0,73201-37-3) → 2-chloro-10-(4-(2-methoxyacetoxyethyl)piperazino)-10,11-dihydrodibenzothiepin (108263-45-2)

Guidance literature:

With 1,1'-carbonyldiimidazole; In dichloromethane; for 50h; Ambient temperature;

Reference yield: 74.0%

methylsulfanyl-acetic acid (2444-37-3) + docloxythepin (56934-18-0,73201-37-3) → 2-chloro-10-(4-(2-methylthioacetoxyethyl)piperazino)-10,11-dihydrodibenzothiepin (108263-47-4)

Guidance literature:

With 1,1'-carbonyldiimidazole; In dichloromethane;

Downstream raw materials:

2-chloro-10-(4-(2-methoxyacetoxyethyl)piperazino)-10,11-dihydrodibenzothiepin

imidazolium hydrogen maleate

2-chloro-10-(4-(2-phenylacetoxyethyl)piperazino)-10,11-dihydrodibenzothiepin

2-chloro-10-(4-(2-methylthioacetoxyethyl)piperazino)-10,11-dihydrodibenzothiepin