2-Benzylidene-2H-1,4-benzothiazin-3(4H)-one

Base Information

• Chemical Name: 2-Benzylidene-2H-1,4-benzothiazin-3(4H)-one
• CAS No.: 24545-07-1
• Molecular Formula: C₁₅H₁₁NOS
• Molecular Weight: 253.324
• UNII: MD7EX558WV
• Nikkaji Number: J3.599.648F
• Mol file: 24545-07-1.mol

Synonyms:2-Benzylidene-2H-1,4-benzothiazin-3(4H)-one;NSC 255190;24545-07-1;NSC255190;NSC-255190;MD7EX558WV;(2Z)-2-benzylidene-4H-1,4-benzothiazin-3-one;2-(phenylmethylidene)-3,4-dihydro-2h-1,4-benzothiazin-3-one;SCHEMBL8085249;HMS1787F19;AKOS001055979;J3.599.648F;2-Benzylidene-4H-1,4-benzothiazine-3(2H)-one;2-benzylidene-4H-1,4-benzothiazin-3-one, (2Z)-;2-(Phenylmethylene)-2H-1,4-benzothiazin-3(4H)-one;(2Z)-2-(Phenylmethylene)-2H-1,4-benzothiazin-3(4H)-one;2H-1,4-Benzothiazin-3(4H)-one, 2-(phenylmethylene)-, (2Z)-

Chemical Property of 2-Benzylidene-2H-1,4-benzothiazin-3(4H)-one

Chemical Property:

• Vapor Pressure: 2.09E-09mmHg at 25°C
• Boiling Point: 480.8°Cat760mmHg
• Flash Point: 244.6°C
• Density: 1.292g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 253.05613515
• Heavy Atom Count: 18
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2
• Isomeric SMILES: C1=CC=C(C=C1)/C=C\2/C(=O)NC3=CC=CC=C3S2

Technology Process of 2-Benzylidene-2H-1,4-benzothiazin-3(4H)-one

There total 11 articles about 2-Benzylidene-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: 59.0%

2H-1,4-benzothiazin-3-one (5325-20-2) + benzaldehyde (100-52-7) → 2-benzylidene-2H-1,4-benzothiazin-3(4H)-one (24545-07-1)

Guidance literature:

With sodium methylate; In N,N-dimethyl-formamide; for 3h; Heating;

Reference yield:

2H-1,4-benzothiazin-3-one (5325-20-2) → 2-benzylidene-2H-1,4-benzothiazin-3(4H)-one (24545-07-1)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / CH₂Cl₂

3: NaOEt / ethanol; H₂O

With thionyl chloride; sodium ethanolate; In ethanol; dichloromethane; water;

DOI:10.1021/jo00900a011

Reference yield:

2-chloro-3,4-dihydro-3-oxo-2H-1,4-benzothiazine (55043-49-7) → 2-benzylidene-2H-1,4-benzothiazin-3(4H)-one (24545-07-1)

Guidance literature:

Multi-step reaction with 2 steps

2: NaOEt / ethanol; H₂O

With sodium ethanolate; In ethanol; water;

DOI:10.1021/jo00900a011

upstream raw materials:

3-hydroxy-2-phenyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

2-(2-nitro-phenylsulfanyl)-3-phenyl-acrylic acid

(3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-phosphonic acid diethyl ester

benzaldehyde

Downstream raw materials:

2-benzylidene-4-methyl-4H-benzo[1,4]thiazin-3-one

pyrido<3,2-b><1,4>-benzothioazine(1-azaphenothiazine)