4-[2-(Diethylamino)ethyl]-2-phenyl-2H-1,4-benzothiazin-3(4H)-one

Base Information

• Chemical Name: 4-[2-(Diethylamino)ethyl]-2-phenyl-2H-1,4-benzothiazin-3(4H)-one
• CAS No.: 4771-95-3
• Molecular Formula: C₂₀H₂₄N₂OS
• Molecular Weight: 340.489
• DSSTox Substance ID: DTXSID401173054
• Mol file: 4771-95-3.mol

Synonyms:DTXSID401173054;4-[2-(Diethylamino)ethyl]-2-phenyl-2H-1,4-benzothiazin-3(4H)-one;4771-95-3

Chemical Property of 4-[2-(Diethylamino)ethyl]-2-phenyl-2H-1,4-benzothiazin-3(4H)-one

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 340.16093457
• Heavy Atom Count: 24
• Complexity: 406

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CCN1C2=CC=CC=C2SC(C1=O)C3=CC=CC=C3

Technology Process of 4-[2-(Diethylamino)ethyl]-2-phenyl-2H-1,4-benzothiazin-3(4H)-one

There total 3 articles about 4-[2-(Diethylamino)ethyl]-2-phenyl-2H-1,4-benzothiazin-3(4H)-one 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-bromophenylacetic acid (4870-65-9,31302-84-8) → 4-(2-diethylamino-ethyl)-2-phenyl-4H-benzo[1,4]thiazin-3-one (4771-95-3)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene

2: (i) NaNH₂, toluene, (ii) /BRN= 605300/

In xylene;

DOI:10.1021/jm00338a036

Reference yield:

2-amino-benzenethiol (137-07-5) → 4-(2-diethylamino-ethyl)-2-phenyl-4H-benzo[1,4]thiazin-3-one (4771-95-3)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene

2: (i) NaNH₂, toluene, (ii) /BRN= 605300/

In xylene;

DOI:10.1021/jm00338a036

Reference yield:

3,4-dihydro-2-phenyl-2H-1,4-benzothiazin-3-one (38533-19-6) + 2-(diethylamino)ethyl chloride (100-35-6) → 4-(2-diethylamino-ethyl)-2-phenyl-4H-benzo[1,4]thiazin-3-one (4771-95-3)

Guidance literature:

Multistep reaction; (i) NaNH₂, toluene, (ii) /BRN= 605300/;

DOI:10.1021/jm00338a036

upstream raw materials:

3,4-dihydro-2-phenyl-2H-1,4-benzothiazin-3-one

2-(diethylamino)ethyl chloride

2-bromophenylacetic acid

2-amino-benzenethiol

Downstream raw materials:

diethyl-[2-(2-phenyl-2,3-dihydro-benzo[1,4]thiazin-4-yl)-ethyl]-amine