Diethazine

Base Information

• Chemical Name: Diethazine
• CAS No.: 60-91-3
• Molecular Formula: C18H22 N2 S
• Molecular Weight: 298.452
• Hs Code.: 2934300000
• European Community (EC) Number: 200-491-3
• UNII: 28B5CG0RU3
• DSSTox Substance ID: DTXSID40208700
• Nikkaji Number: J4.810K
• Wikidata: Q27254297
• NCI Thesaurus Code: C79942
• ChEMBL ID: CHEMBL1620412
• Mol file: 60-91-3.mol

Synonyms:10-(2-diethylaminoethyl)phenothiazine;diethazine;diethazine monohydrochloride;diethazine radical ion (1+)

Chemical Property of Diethazine

Chemical Property:

• Vapor Pressure: 2.46E-07mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 422.2°C at 760 mmHg
• PKA: pKa 9.1 (Uncertain)
• Flash Point: 209.1°C
• PSA: 31.78000
• Density: 1.115g/cm³
• LogP: 4.69610
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 298.15036988
• Heavy Atom Count: 21
• Complexity: 296

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN1C2=CC=CC=C2SC3=CC=CC=C31

Technology Process of Diethazine

There total 11 articles about Diethazine 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:

10-(2-chloroethyl)-10H-phenothiazine (21786-08-3) → diethazine (60-91-3)

Guidance literature:

With copper; diethylamine;

DOI:10.1021/ja01234a013

Reference yield:

10H-phenothiazine (92-84-2) → diethazine (60-91-3)

Guidance literature:

Multi-step reaction with 2 steps

2: diethylamine; copper

With copper; diethylamine;

DOI:10.1021/ja01234a013

Reference yield:

10H-phenothiazine (92-84-2) + 2-(diethylamino)ethyl chloride (100-35-6) → diethazine (60-91-3)

Guidance literature:

upstream raw materials:

10H-phenothiazine

2-(diethylamino)ethyl chloride

10-(2-chloroethyl)-10H-phenothiazine

N,N-diethyl-N',N'-diphenyl-ethylenediamine

Refernces

• 1、 Szabo,Chung,Tam,Tishler. "Synthetic applications and mechanism of the pyrolysis of phenothiazine carbamates". . p. 744 - 746. Retrieved 2007/10/02.
• 2、 Levy,Tozer,Tuck,Loveland. "Stability of some phenothiazine free radicals.". . p. 898 - 905. Retrieved 2007/10/10.