Dimethyl 3-cyclopentene-1,1-dicarboxylate

Basic Information

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CAS Number

84646-68-4

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

205.1 ℃ at 760 mmHg

Density

1.183

Flash Point

91.5°C

Refractive Index

1.483

SMILES

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COC(=O)C1(CC=CC1)C(=O)OC

InChI

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

InChIKey

PQMIUYZOJQILOZ-UHFFFAOYSA-N

LogP

0.6687999999999998

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

228

Synonyms & References

English

Dimethyl cyclopent-3-ene-1,1-dicarboxylate
Dimethyl 3-cyclopentene dicarbonate
Dimethyl 3-cyclopentene-1,1-dicarboxylate
dimethyl cyclopent-3-en-1,1-dicarboxylate
methyl 1-(Methoxycarbonyl)cyclopent-3-enecarboxylate

MDL Number

MFCD00154460

Customs Code

2917209090

FAQ

What are the physical and chemical properties of Dimethyl 3-cyclopentene-1,1-dicarboxylate (CAS: 84646-68-4)?

Dimethyl 3-cyclopentene-1,1-dicarboxylate is a colorless liquid at room temperature. Its molecular weight is approximately 166.24 g/mol. It is slightly soluble in water but miscible with common organic solvents. Chemically, it is relatively stable but can undergo ester hydrolysis and esterification reactions under certain conditions.

How is Dimethyl 3-cyclopentene-1,1-dicarboxylate (CAS: 84646-68-4) typically synthesized?

Dimethyl 3-cyclopentene-1,1-dicarboxylate is usually synthesized via the multistep process involving the alkylation of maleic anhydride with methanol, followed by esterification. The reaction is catalyzed by acid or base, and the yield is typically around 75-85%. Careful control of reaction conditions ensures high selectivity and purity.

What industries use Dimethyl 3-cyclopentene-1,1-dicarboxylate (CAS: 84646-68-4)?

Dimethyl 3-cyclopentene-1,1-dicarboxylate is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers for their modification, and as a precursor in the production of sensors and semiconductors. It serves as a valuable intermediate in organic synthesis owing to its reactive functionality.

What precautions should be taken when handling Dimethyl 3-cyclopentene-1,1-dicarboxylate (CAS: 84646-68-4)?

When handling Dimethyl 3-cyclopentene-1,1-dicarboxylate (CAS: 84646-68-4), it is important to use appropriate personal protective equipment such as gloves, goggles, and lab coats. Store the compound in a closed container away from heat and humidity. Use in a fume hood to avoid inhalation. In case of spill, neutralize with an appropriate base, collect the residue, and dispose of according to local regulations.