2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide

Base Information

• Chemical Name: 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide
• CAS No.: 130598-00-4
• Molecular Formula: C₁₇H₂₀O₆S
• Molecular Weight: 352.408
• DSSTox Substance ID: DTXSID40926811
• Mol file: 130598-00-4.mol

Synonyms:BRN 4766632;130598-00-4;2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide;C17H20O6S;DTXSID40926811;C17-H20-O6-S;LS-58510;Ethyl 6,8-dihydroxy-4-methyl-3,3-dioxo-1,2,3,5,6a,7,7a,8b-octahydro-3lambda~6~-cyclopropa[6,7]naphtho[2,1-b]thiophene-7-carboxylate

Chemical Property of 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide

Chemical Property:

• Vapor Pressure: 1.65E-18mmHg at 25°C
• Boiling Point: 629.9°C at 760 mmHg
• Flash Point: 334.7°C
• Density: 1.51g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 352.09805953
• Heavy Atom Count: 24
• Complexity: 839

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: CCOC(=O)C1C2C1C(=C3C4CCS(=O)(=O)C4=C(CC3=C2O)C)O

Technology Process of 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide

There total 1 articles about 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-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: 17.0%

diazoacetic acid ethyl ester (623-73-4) + 4-methyl-3,3,6,9-tetraoxo-1,2,5,6,9,9b-hexahydrothieno<3,2-a>naphthalene (125219-84-3) → 3,7-dihydroxy-10-methyl-5-ethoxycarbonyl-12,12-dioxo-12-thiatetracyclo<9.3.0.02,804,6>trideca-3,7,10-triene (130598-00-4)

Guidance literature:

In benzene; for 16h; Heating;

DOI:10.1007/BF00764992

upstream raw materials:

diazoacetic acid ethyl ester

4-methyl-3,3,6,9-tetraoxo-1,2,5,6,9,9b-hexahydrothieno<3,2-a>naphthalene