2-Phenyl-5,6-dihydro-4h-1,3-thiazine

Base Information

• Chemical Name: 2-Phenyl-5,6-dihydro-4h-1,3-thiazine
• CAS No.: 6638-35-3
• Molecular Formula: C10H11NS
• Molecular Weight: 177.27
• NSC Number: 48049
• DSSTox Substance ID: DTXSID30286855
• Nikkaji Number: J977.671K
• Wikidata: Q82022683
• Mol file: 6638-35-3.mol

Synonyms:2-phenyl-5,6-dihydro-4h-1,3-thiazine;6638-35-3;NSC48049;DTXSID30286855;NSC-48049

Chemical Property of 2-Phenyl-5,6-dihydro-4h-1,3-thiazine

Chemical Property:

• Vapor Pressure: 0.0114mmHg at 25°C
• Boiling Point: 270.3°C at 760 mmHg
• Flash Point: 117.3°C
• Density: 1.13g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.06122053
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN=C(SC1)C2=CC=CC=C2

Technology Process of 2-Phenyl-5,6-dihydro-4h-1,3-thiazine

There total 17 articles about 2-Phenyl-5,6-dihydro-4h-1,3-thiazine 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: 90.0%

3-bromopropylamine hydrochloride (5003-71-4) + benzenecarbothioamide (2227-79-4) → 2-phenyl-5,6-dihydro-4H-1,3-thiazine (6638-35-3)

Guidance literature:

3-bromopropylamine hydrochloride; benzenecarbothioamide; In water; at 60 - 70 ℃; for 2.5h;

With sodium carbonate; In water;

DOI:10.1039/c1gc15285h

Reference yield: 88.0%

N-(3-bromopropyl)dichlorothiophosphoramidate + Benzaldoxime (932-90-1) → 2-phenyl-5,6-dihydro-4H-1,3-thiazine (6638-35-3)

Guidance literature:

With water; triethylamine; In neat (no solvent); at 0 - 120 ℃; Green chemistry;

DOI:10.1055/s-0035-1560459

Reference yield: 84.0%

N-(3-chloropropyl)benzamide (10554-29-7) → 2-phenyl-5,6-dihydro-4H-1,3-thiazine (6638-35-3)

Guidance literature:

N-(3-chloropropyl)benzamide; With Lawessons reagent; In toluene; for 1h; Heating;

With triethylamine; In toluene; at 20 ℃;

DOI:10.1002/hlca.200590000

upstream raw materials:

N-(3-hydroxypropyl)benzothioamide

1.3-chlorobromopropane

benzenecarbothioamide

1-thiobenzoyl-azetidine

Downstream raw materials:

Homotaurin

(+/-)-trans-7-phenoxy-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one

7c-phenoxy-5ξ-oxo-6-phenyl-(6rH)-5λ⁴-thia-1-aza-bicyclo[4.2.0]octan-8-one

7c-methoxy-5ξ-oxo-6-phenyl-(6rH)-5λ⁴-thia-1-aza-bicyclo[4.2.0]octan-8-one