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115913-32-1

115913-32-1 Structure

115913-32-1 Structure
IdentificationBack Directory
[Name]

DiMethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
[CAS]

115913-32-1
[Synonyms]

DiMethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
1,3-dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
Dimethyl Bicyclo[1.1.1]Pentane-1,3-Dicarboxylate(WX120557)
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, dimethyl ester
BICYCLO[1.1.1]PENTANE-1,3-DICARBOXYLIC ACID, 1,3-DIMETHYL ESTER
1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid dimethyl ester
[Molecular Formula]

C9H12O4
[MDL Number]

MFCD23106317
[MOL File]

115913-32-1.mol
[Molecular Weight]

184.19
Chemical PropertiesBack Directory
[Boiling point ]

233.8±20.0 °C(Predicted)
[density ]

1.369±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P301+P312-P261
[HS Code ]

2917200090
Hazard InformationBack Directory
[Uses]

Dimethyl Bicyclo[1.1.1]pentane-1,3-dicarboxylate is a useful reagent for preparation of terminally functionalized [n]staffanes.
[Synthesis]

Methanol

67-56-1

Bicyclo[1.1.1]pentane-1,3-dicarbonyl dichloride (9CI)

115913-31-0

DiMethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate

115913-32-1

The crude product of compound 6 obtained in the previous step was directly dissolved in methanol (200 mL) and heated to reflux for 4 hours. After completion of the reaction, the reaction solution was concentrated to obtain the crude product of compound 7. Crystallization and purification was carried out by petroleum ether to finally obtain the pure compound 7 (12.2 g) in 90% yield.

[References]

[1] Journal of Medicinal Chemistry, 1996, vol. 39, # 15, p. 2874 - 2876
[2] Bioorganic and Medicinal Chemistry, 2001, vol. 9, # 2, p. 221 - 227
[3] Journal of Medicinal Chemistry, 2012, vol. 55, # 7, p. 3414 - 3424
[4] Patent: CN105294442, 2016, A. Location in patent: Paragraph 0006; 0014
Spectrum DetailBack Directory
[Spectrum Detail]

DiMethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate(115913-32-1)1HNMR
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