3,3-Dimethyl-2,4-dioxa-9lambda~6~-thiaspiro[5.5]undecane-1,5,9,9-tetraone

Base Information

• Chemical Name: 3,3-Dimethyl-2,4-dioxa-9lambda~6~-thiaspiro[5.5]undecane-1,5,9,9-tetraone
• CAS No.: 64096-86-2
• Molecular Formula: C10H14O6S
• Molecular Weight: 262.28000
• DSSTox Substance ID: DTXSID40363444
• Nikkaji Number: J2.501.803F
• Wikidata: Q82147141
• Mol file: 64096-86-2.mol

Synonyms:64096-86-2;3,3-dimethyl-2,4-dioxa-9lambda~6~-thiaspiro[5.5]undecane-1,5,9,9-tetraone;3,3-dimethyl-2,4-dioxa-9lambda6-thiaspiro[5.5]undecane-1,5,9,9-tetrone;1T-0642;3,3-dimethyl-9,9-dioxo-2,4-dioxa-9lambda6-thiaspiro[5.5]undecane-1,5-dione;Oprea1_108851;SCHEMBL13257188;DTXSID40363444;AKOS005083803;3,3-Dimethyl-2,4-dioxa-9-thiaspiro[5.5]undecane-1,5-dione 9,9-dioxide;3,3-dimethyl-2,4-dioxa-9|E?-thiaspiro[5.5]undecane-1,5,9,9-tetrone;3,3-Dimethyl-9,9-dioxo-2,4-dioxa-9lambda6-thia-spiro[5.5]undecane-1,5-dione

Chemical Property of 3,3-Dimethyl-2,4-dioxa-9lambda~6~-thiaspiro[5.5]undecane-1,5,9,9-tetraone

Chemical Property:

• PSA: 95.12000
• LogP: 1.09830
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 262.05110934
• Heavy Atom Count: 17
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(OC(=O)C2(CCS(=O)(=O)CC2)C(=O)O1)C

Technology Process of 3,3-Dimethyl-2,4-dioxa-9lambda~6~-thiaspiro[5.5]undecane-1,5,9,9-tetraone

There total 3 articles about 3,3-Dimethyl-2,4-dioxa-9lambda~6~-thiaspiro[5.5]undecane-1,5,9,9-tetraone 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: 98.0%

Divinyl sulfone (77-77-0) + cycl-isopropylidene malonate (2033-24-1) → 3,3-dimethyl-2,4-dioxa-9-thiaspiro[5.5]undecane-1,5-dione-9,9-dioxide (64096-86-2)

Guidance literature:

With potassium carbonate; In tert-butyl alcohol; at 80 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/op800108s

Reference yield: 79.7%

cycl-isopropylidene malonate (2033-24-1) + C6H14O8S3 → 3,3-dimethyl-2,4-dioxa-9-thiaspiro[5.5]undecane-1,5-dione-9,9-dioxide (64096-86-2)

Guidance literature:

With triethylamine; In acetonitrile; at 58 - 62 ℃; for 3h; Inert atmosphere; Large scale;

Reference yield:

→ 3,3-dimethyl-2,4-dioxa-9-thiaspiro[5.5]undecane-1,5-dione-9,9-dioxide (64096-86-2)

Guidance literature:

Divinylsulfon, Meldrum's Saeure (III), tert.-Butanol;

upstream raw materials:

Divinyl sulfone

cycl-isopropylidene malonate

Downstream raw materials:

1,1-dioxo-hexahydro-1λ⁶-thiopyran-4-carboxylic acid

N-(2-((4-(1,2,4-oxadiazol-3-yl)phenyl)amino)-2-oxoethyl)-N-(2,6-dimethylphenyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide