(Z)-2,3-Dihydro-6-chloro-3-(phenylmethylene)-4H-1-benzothiopyran-4-one

Base Information

• Chemical Name: (Z)-2,3-Dihydro-6-chloro-3-(phenylmethylene)-4H-1-benzothiopyran-4-one
• CAS No.: 130689-06-4
• Molecular Formula: C₁₆H₁₁ClOS
• Molecular Weight: 286.782
• Wikidata: Q76389656
• Mol file: 130689-06-4.mol

Synonyms:BRN 3614850;(Z)-2,3-Dihydro-6-chloro-3-(phenylmethylene)-4H-1-benzothiopyran-4-one;5-17-10-00589 (Beilstein Handbook Reference);4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-;130689-06-4;LS-41410;(3Z)-3-benzylidene-6-chloro-thiochroman-4-one;4H-1-benzothiopyran-4-one, 6-chloro-2,3-dihydro-3-(phenylmethylene)-, (3Z)-

Chemical Property of (Z)-2,3-Dihydro-6-chloro-3-(phenylmethylene)-4H-1-benzothiopyran-4-one

Chemical Property:

• Vapor Pressure: 5.02E-09mmHg at 25°C
• Boiling Point: 470.5°Cat760mmHg
• Flash Point: 238.4°C
• Density: 1.352g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.0219138
• Heavy Atom Count: 19
• Complexity: 373

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=CC2=CC=CC=C2)C(=O)C3=C(S1)C=CC(=C3)Cl
• Isomeric SMILES: C1/C(=C\C2=CC=CC=C2)/C(=O)C3=C(S1)C=CC(=C3)Cl

Technology Process of (Z)-2,3-Dihydro-6-chloro-3-(phenylmethylene)-4H-1-benzothiopyran-4-one

There total 1 articles about (Z)-2,3-Dihydro-6-chloro-3-(phenylmethylene)-4H-1-benzothiopyran-4-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: 25.6%

6-chlorothiochroman-4-one (13735-12-1) + benzaldehyde (100-52-7) → 6-Chloro-3-[1-phenyl-meth-(Z)-ylidene]-thiochroman-4-one (130689-06-4)

Guidance literature:

With hydrogenchloride; In ethanol; for 0.0833333h; Ambient temperature;

DOI:10.1016/0223-5234(90)90010-Z

Reference yield: 41.7%

6-Chloro-3-[1-phenyl-meth-(Z)-ylidene]-thiochroman-4-one (130689-06-4) + malononitrile (109-77-3) → 3-Amino-6-chloro-1-phenyl-1H,10H-4-oxa-9-thia-phenanthrene-2-carbonitrile (135521-74-3)

Guidance literature:

With piperidine; In ethanol; Ambient temperature;

DOI:10.1016/0223-5234(91)90033-J

upstream raw materials:

6-chlorothiochroman-4-one

benzaldehyde

Downstream raw materials:

3-Amino-6-chloro-1-phenyl-1H,10H-4-oxa-9-thia-phenanthrene-2-carbonitrile