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

Basic Information

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CAS Number

115913-32-1

Molecular Formula

C9H12O4

Molecular Weight

184.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

233.8±20.0 ºC (760 Torr),

Flash Point

110.8±20.2 ºC,

SMILES

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COC(=O)C1(CC2(C1)C(=O)OC)C2

InChI

InChI=1S/C9H12O4/c1-12-6(10)8-3-9(4-8,5-8)7(11)13-2/h3-5H2,1-2H3

InChIKey

TWMHLEILGHXLSY-UHFFFAOYSA-N

LogP

0.5026999999999998

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

227

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, 1,3-dimethyl ester
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
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid dimethyl ester
TWMHLEILGHXLSY-UHFFFAOYSA-N
SB10648
PB39239
SY097085
AK158855
ST2406813
AB0022195
W2903
F10081
dimethyl-bic
dimethyl-bicyclo[1.1.1]pentane-1,3-dicarboxylate
Bicy
dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate

MDL Number

MFCD23106317

FAQ

What are the physical and chemical properties of Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate (CAS: 115913-32-1)?

Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate (CAS: 115913-32-1) is a colorless, crystalline solid with a high melting point and low solubility in water. It has a molecular weight of approximately 186.15 g/mol. The compound is moderately reactive and soluble in common organic solvents like acetone and ethanol. It exhibits good thermal stability but is sensitive to strong bases and reducing agents.

How is Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate (CAS: 115913-32-1) typically synthesized?

Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate (CAS: 115913-32-1) is typically synthesized via the ring-opening esterification of bicyclo[1.1.1]pentane with methanol, followed by the esterification with acrylic acid. The reaction is conducted using a mild acid catalyst like sulfuric acid, and the product is isolated through recrystallization. High selectivity and yield are achieved under controlled conditions.

What industries use Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate (CAS: 115913-32-1)?

Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate (CAS: 115913-32-1) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers for enhancing material properties, and in sensors for detecting specific chemical compounds. It also finds applications in semiconductor manufacturing for specific cleaning and etching processes.

What precautions should be taken when handling Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate (CAS: 115913-32-1)?

When handling Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate (CAS: 115913-32-1), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled carefully using absorbent materials, and the area should be thoroughly cleaned. Always consult a material safety data sheet (MSDS) for specific handling and disposal instructions.