1,5-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

Base Information

• Chemical Name: 1,5-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
• CAS No.: 6914-67-6
• Molecular Formula: C7H8O3
• Molecular Weight: 140.1366
• NSC Number: 167992
• DSSTox Substance ID: DTXSID50304888
• Nikkaji Number: J28.181F

Synonyms:1,5-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione;6914-67-6;NSC167992;SCHEMBL11759434;DTXSID50304888;NSC-167992

Chemical Property of 1,5-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

Chemical Property:

• Vapor Pressure: 0.0629mmHg at 25°C
• Boiling Point: 231.3°Cat760mmHg
• Flash Point: 103.1°C
• Density: 1.387g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.047344113
• Heavy Atom Count: 10
• Complexity: 221

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: CC12CC1(C(=O)OC2=O)C

Technology Process of 1,5-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

There total 12 articles about 1,5-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-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:

cis-1,2-Dimethyl-1,2-cyclopropanedicarboxylic acid (699-49-0) → 1,2-dimethyl-cyclopropane-1r,2c-dicarboxylic acid anhydride (6914-67-6) + c-2-Chlorformyl-1,2-dimethyl-r-1-cyclopropancarbonsaeure (119908-77-9) + (1R,2S)-1,2-Dimethyl-cyclopropane-1,2-dicarbonyl dichloride (119908-74-6)

Guidance literature:

With phosphorus pentachloride; for 1.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

1,2-dimethylcyclopropane-1,2-dicarboxylic acid (89898-46-4) → 1,2-dimethyl-cyclopropane-1,2-dicarboxylic acid anhydride (6914-67-6)

Guidance literature:

With acetic anhydride; at 170 ℃; for 2h; Temperature;

Reference yield:

→ 1,2-dimethyl-cyclopropane-1r,2c-dicarboxylic acid anhydride (6914-67-6)

Guidance literature:

With acetic anhydride;

DOI:10.1021/ja01557a029

upstream raw materials:

cis-1,2-Dimethyl-1,2-cyclopropanedicarboxylic acid

C₇H₈O₄^(2-)*2K⁽¹⁺⁾

1,2-Dimethyl-r-1,c-2-cyclopropandicarbonsaeure-dimethylester

(1R,2S)-1,2-Dimethyl-cyclopropane-1,2-dicarboxylic acid monomethyl ester

Downstream raw materials:

3-benzyl-1,5-dimethyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione

3-benzyl-1,5-dimethyl-3-aza-bicyclo[3.1.0]hexane

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