(Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one 1,1-dioxide

Base Information

• Chemical Name: (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one 1,1-dioxide
• CAS No.: 130689-13-3
• Molecular Formula: C17H14 O4 S
• Molecular Weight: 314.3557
• Wikidata: Q76389664

Synonyms:BRN 3619665;(Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one 1,1-dioxide;4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-methoxyphenyl)methylene)-, 1,1-dioxide, (Z)-;130689-13-3;LS-41418;(3Z)-3-[(4-methoxyphenyl)methylene]-1,1-dioxo-thiochromen-4-one;4H-1-benzothiopyran-4-one, 2,3-dihydro-3-[(4-methoxyphenyl)methylene]-, 1,1-dioxide, (3Z)-

Chemical Property of (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one 1,1-dioxide

Chemical Property:

• Vapor Pressure: 1.82E-13mmHg at 25°C
• Boiling Point: 580.4°C at 760 mmHg
• Flash Point: 304.8°C
• Density: 1.36g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 314.06128010
• Heavy Atom Count: 22
• Complexity: 550

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: COC1=CC=C(C=C1)C=C2CS(=O)(=O)C3=CC=CC=C3C2=O
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C/2\CS(=O)(=O)C3=CC=CC=C3C2=O

Technology Process of (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one 1,1-dioxide

There total 2 articles about (Z)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one 1,1-dioxide 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: 100.0%

(Z)-3-(4-methoxy-benzylidene)-thiochroman-4-one (74074-07-0,135521-82-3,101017-54-3) → 3-(4'-methoxybenzylidene)thiochroman-4-one-1,1-dioxide (130689-13-3)

Guidance literature:

With 3,3-dimethyldioxirane; In dichloromethane; acetone; at 20 ℃; for 2h;

DOI:10.1016/S0040-4020(01)89320-0

Reference yield: 10.0%

(Z)-3-(4-methoxy-benzylidene)-thiochroman-4-one (74074-07-0,135521-82-3,101017-54-3) → 3-(4'-methoxybenzylidene)thiochroman-4-one-1-oxide (130689-12-2) + 3-(4'-methoxybenzylidene)thiochroman-4-one-1,1-dioxide (130689-13-3)

Guidance literature:

With 3,3-dimethyldioxirane; In dichloromethane; acetone; at 20 ℃; for 1h;

DOI:10.1016/S0040-4020(01)89320-0

upstream raw materials:

(Z)-3-(4-methoxy-benzylidene)-thiochroman-4-one

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