3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione

Base Information

• Chemical Name: 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione
• CAS No.: 64566-32-1
• Molecular Formula: C8H6 O3 S
• Molecular Weight: 182.2
• Nikkaji Number: J542.538G
• Wikidata: Q76152621

Synonyms:BRN 1372571;64566-32-1;3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione;4,7-Epoxybenzo(c)thiophene-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-;LS-64037;3aalpha,4,7,7aalpha-Tetrahydro-4beta,7beta-epoxybenzo[c]thiophene-1,3-dione

Chemical Property of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione

Chemical Property:

• Vapor Pressure: 0.00358mmHg at 25°C
• Boiling Point: 281.3°C at 760 mmHg
• Flash Point: 138.4°C
• Density: 1.567g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 182.00376522
• Heavy Atom Count: 12
• Complexity: 281

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2C3C(C1O2)C(=O)SC3=O
• Isomeric SMILES: C1=C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)SC3=O

Technology Process of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione

There total 2 articles about 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione 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: 96.0%

exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride (6118-51-0) → exo-7-oxabicyclo<2.2.1>hept-5-ene-2,3-dicarboxylic thioanhydride (64566-32-1)

Guidance literature:

With sodium sulfide; tetra-(n-butyl)ammonium iodide; In dichloromethane; water;

Reference yield:

→ exo-7-oxabicyclo<2.2.1>hept-5-ene-2,3-dicarboxylic thioanhydride (64566-32-1)

Guidance literature:

/BRN= 10355/, Na2S, HCl;

upstream raw materials:

exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride

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