3,4-Dihydro-2H-1,4-benzothiazine

Base Information

• Chemical Name: 3,4-Dihydro-2H-1,4-benzothiazine
• CAS No.: 3080-99-7
• Molecular Formula: C8H9 N S
• Molecular Weight: 151.232
• Hs Code.: 2934999090
• European Community (EC) Number: 696-593-4
• DSSTox Substance ID: DTXSID20184811
• Nikkaji Number: J448.548C
• Wikidata: Q83055751
• ChEMBL ID: CHEMBL1622411
• Mol file: 3080-99-7.mol

Synonyms:2,3-dihydro-1,4-benzothiazine

Chemical Property of 3,4-Dihydro-2H-1,4-benzothiazine

Chemical Property:

• Vapor Pressure: 0.00541mmHg at 25°C
• Boiling Point: 274.4°C at 760 mmHg
• Flash Point: 119.8°C
• PSA: 37.33000
• Density: 1.147g/cm³
• LogP: 2.34220
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.04557046
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4-Dihydro-2H-1,4-benzothiazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC2=CC=CC=C2N1
• Uses: 3,4-Dihydro-2H-1,4-benzothiazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Technology Process of 3,4-Dihydro-2H-1,4-benzothiazine

There total 35 articles about 3,4-Dihydro-2H-1,4-benzothiazine 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: 99.0%

2-aminophenyl-2-chloroethyl-sulphide (82595-41-3) → 3,4-dihydro-2H-benzo[1,4]thiazine (3080-99-7)

Guidance literature:

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 90 ℃;

Reference yield: 97.0%

4-acetyl-2,3-dihydrobenzo-1,4-thiazine (6397-16-6) → 3,4-dihydro-2H-benzo[1,4]thiazine (3080-99-7) + 4-ethyl-3,4-dihydro-2H-benzo[b][1,4]thiazine (6397-12-2)

Guidance literature:

With triethyl borane; Triethoxysilane; sodium hydroxide; In hexane; at 80 ℃; for 6h; Reagent/catalyst; Solvent; Inert atmosphere; Sealed tube;

Reference yield: 96.5%

2H-1,4-benzothiazin-3-one (5325-20-2) → 3,4-dihydro-2H-benzo[1,4]thiazine (3080-99-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2h; Under nitrogen; Heating / reflux;

upstream raw materials:

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

2-<(2-Hydroxyethyl)thio>aniline

1,2-dichloro-ethane

2-amino-benzenethiol

Downstream raw materials:

4-[3-(4-chloro-phenyl)-acryloyl]-3,4-dihydro-2H-benzo[1,4]thiazine

4-(4-phenyl-but-3-enoyl)-3,4-dihydro-2H-benzo[1,4]thiazine

4-benzyl-3,4-dihydro-2H-benzo[1,4]thiazine

4-(4-chloro-benzoyl)-3,4-dihydro-2H-benzo[1,4]thiazine

Refernces

• 1、 -. "Influenza virus replication inhibitors and uses thereof". Paragraph 0269-0273. . Retrieved 2021/07/01.
• 2、 Yao, Wubing,He, Lili,Han, Deman,Zhong, Aiguo. "Sodium Triethylborohydride-Catalyzed Controlled Reduction of Unactivated Amides to Secondary or Tertiary Amines". . . Retrieved 2019/11/14.