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67911-21-1

67911-21-1 Structure

67911-21-1 Structure
IdentificationMore
[Name]

Caronic anhydride
[CAS]

67911-21-1
[Synonyms]

6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
caronic anhydride
aronicanhydride
[Molecular Formula]

C7H8O3
[MDL Number]

MFCD09751198
[Molecular Weight]

140.14
[MOL File]

67911-21-1.mol
Chemical PropertiesBack Directory
[Melting point ]

53-57℃
[Boiling point ]

246°C
[density ]

1.274
[Fp ]

113°C
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

soluble in Methanol
[form ]

Solid
[color ]

White
[Sensitive ]

Moisture Sensitive
[InChI]

InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3
[InChIKey]

QKAHKEDLPBJLFD-UHFFFAOYSA-N
[SMILES]

C12C(C1(C)C)C(=O)OC2=O
[CAS DataBase Reference]

67911-21-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

2914199090
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

Caronic anhydride, also known as 6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione, is a pharmaceutical intermediate mainly used as a synthesis of Boceprevir, an oral protease inhibitor of hepatitis C. It is widely used in agricultural chemicals and other organic synthesis field.
[Synthesis]

Step 1: Ethyl dichlorochrysanthemate in ethyl acetate is ozonized at -5°C until conversion exceeds 99%. Work-up, saponification, acidification, extraction, and concentration yield 3,3-dimethyl-1,2-cyclopropanedicarboxylic acid.
Step 2: The diacid is he
Spectrum DetailBack Directory
[Spectrum Detail]

Caronic anhydride(67911-21-1)1HNMR
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