DIBENZO(b,f)(1,4)THIAZEPINE, 2-CHLORO-11-((2-DIMETHYLAMINOETHYL)METHYLAMINO)-

Base Information

• Chemical Name: DIBENZO(b,f)(1,4)THIAZEPINE, 2-CHLORO-11-((2-DIMETHYLAMINOETHYL)METHYLAMINO)-
• CAS No.: 6550-57-8
• Molecular Formula: C18H20ClN3S
• Molecular Weight: 345.8895
• DSSTox Substance ID: DTXSID70215806
• Mol file: 6550-57-8.mol

Synonyms:BRN 1087813;DIBENZO(b,f)(1,4)THIAZEPINE, 2-CHLORO-11-((2-DIMETHYLAMINOETHYL)METHYLAMINO)-;2-Chloro-11-((2-dimethylaminoethyl)methylamino)dibenzo(b,f)(1,4)thiazepine;DTXSID70215806;LS-61277

Chemical Property of DIBENZO(b,f)(1,4)THIAZEPINE, 2-CHLORO-11-((2-DIMETHYLAMINOETHYL)METHYLAMINO)-

Chemical Property:

• Boiling Point: 460.7°Cat760mmHg
• Flash Point: 232.4°C
• PSA: 52.93000
• Density: 1.23g/cm³
• LogP: 3.90310
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 345.1066465
• Heavy Atom Count: 23
• Complexity: 415

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCNCC1=NC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Technology Process of DIBENZO(b,f)(1,4)THIAZEPINE, 2-CHLORO-11-((2-DIMETHYLAMINOETHYL)METHYLAMINO)-

There total 2 articles about DIBENZO(b,f)(1,4)THIAZEPINE, 2-CHLORO-11-((2-DIMETHYLAMINOETHYL)METHYLAMINO)- 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-chlorodibenzo-1,4-thiazepin-11(10H)-one (3159-04-4) + N,N',N'-trimethylenediamine (142-25-6) → N-(2-chloro-dibenzo[b,f][1,4]thiazepin-11-yl)-N,N',N'-trimethyl-ethane-1,2-diamine (6550-57-8)

Guidance literature:

Multistep reaction; (i) PCl₃, PCl₅, CH₂Cl₂, (ii) /BRN= 505989/, xylene;

Reference yield:

→ N-(2-chloro-dibenzo[b,f][1,4]thiazepin-11-yl)-N,N',N'-trimethyl-ethane-1,2-diamine (6550-57-8)

Guidance literature:

entspr. Anilid II, P2O5, POCl3;

upstream raw materials:

2-chlorodibenzo-1,4-thiazepin-11(10H)-one

N,N',N'-trimethylenediamine