Diethyl 1,1-cyclobutanedicarboxylate

Basic Information

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CAS Number

3779-29-1

Molecular Formula

C10H16O4

Molecular Weight

200.23 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

226°C

Water Solubility

Insoluble in water.

Refractive Index

1.436

SMILES

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CCOC(=O)C1(CCC1)C(=O)OCC

InChI

InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3

InChIKey

JPNJEJSZSMXWSV-UHFFFAOYSA-N

LogP

1.2829000000000002

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

210

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

diethyl cyclobutanedicarboxylate
AKOS000120487
CS-0017981
SY036809
Diethyl 1,1-cyclobutanedicarboxylate
Cyclobutane-1,1-dicarboxylic acid diethyl ester
AC-19426
GS-3371
1,1-DICARBOETHOXYCYCLOBUTANE/Diethyl 1,1-cyclobutanedicarboxylate
NSC-9017
HMS1577C01
3779-29-1
NSC 9017
1,1-Cyclobutanedicarboxylic acid, diethyl ester
S7BAH6Z7AN
DTXSID2063189
Diethyl 1,1-cyclobutanedicarboxylate, 95%
F0001-1084
FT-0606077
AB89710
SCHEMBL713102
Diethyl cyclobutane-1,1-dicarboxylate, >=98.0% (GC)
AM20070611
Diethyl cyclobutane-1,1-dicarboxylate
NSC9017
InChI=1/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H
MFCD00019261
W-106512
J-802188
Q63409128
1,1-Cyclobutanedicarboxylic acid diethyl ester

MDL Number

MFCD00019261

Customs Code

2917209090

FAQ

What are the physical and chemical properties of Diethyl 1,1-cyclobutanedicarboxylate (CAS: 3779-29-1)?

Diethyl 1,1-cyclobutanedicarboxylate (CAS: 3779-29-1) is a colorless to light yellow liquid. It has a molecular weight of approximately 174.24 g/mol and a purity of over 98%. The compound is soluble in organic solvents like ethanol, acetone, and chloroform, but has low solubility in water. It is stable under normal conditions but may undergo hydrolysis under acidic or basic conditions. The compound is reactive and can undergo esterification and ester hydrolysis reactions.

How is Diethyl 1,1-cyclobutanedicarboxylate (CAS: 3779-29-1) typically synthesized?

Diethyl 1,1-cyclobutanedicarboxylate (CAS: 3779-29-1) is typically synthesized from 1,1-cyclobutanedicarboxylic acid and diethylamine. The reaction involves the substitution of the carboxylic acid groups with ethyl esters. This process often uses a mild base like triethylamine as a catalyst. The reaction is highly selective and yields up to 95% of the desired product. The yield can be improved by optimizing reaction conditions such as temperature and concentration.

What industries use Diethyl 1,1-cyclobutanedicarboxylate (CAS: 3779-29-1)?

Diethyl 1,1-cyclobutanedicarboxylate (CAS: 3779-29-1) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the production of certain organic compounds. In the polymer industry, it is used to modify the properties of plastics and resins. It also finds applications in the development of sensors and electronics due to its unique chemical properties. Its use in semiconductors is less common but still relevant for specific applications.

What precautions should be taken when handling Diethyl 1,1-cyclobutanedicarboxylate (CAS: 3779-29-1)?

When handling Diethyl 1,1-cyclobutanedicarboxylate (CAS: 3779-29-1), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound is reactive and can cause irritation to skin and eyes. It should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures. Storage should be in a cool, dry place away from incompatible materials.