Methyl 3-(hydroxymethyl)cyclobutanecarboxylate

Basic Information

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CAS Number

89941-55-9

Molecular Formula

C7H12O3

Molecular Weight

144.17 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

208.6±13.0 ºC (760 Torr),

Density

1.133±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

82.7±12.6 ºC,

SMILES

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COC(=O)C1CC(C1)CO

InChI

InChI=1S/C7H12O3/c1-10-7(9)6-2-5(3-6)4-8/h5-6,8H,2-4H2,1H3

InChIKey

LQUXXSRNBCFGDV-UHFFFAOYSA-N

LogP

0.1779

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

127

Synonyms & References

English

CS-0035906
SB22304
W11147
EN300-7162552
MFCD23701480
Methyl cis-3-(hydroxymethyl)cyclobutanecarboxylate
MFCD13659363
AKOS022184194
EN300-7287072
D96731
SY097358
Methyl 3-(hydroxymethyl)cyclobutanecarboxylate
methyl-3-(hydroxymethyl)cyclobutane-1-carboxylatecis-
1781063-46-4
2398-17-6
3-Hydroxymethyl-cyclobutanecarboxylic acid methyl ester
89941-55-9
SY344023
SB84280
CS-0054582
MFCD30802662
methyl (1r,3r)-3-(hydroxymethyl)cyclobutane-1-carboxylate
methyl3-(hydroxymethyl)cyclobutane-1-carboxylate
methyl-3-(hydroxymethyl)cyclobutane-1-carboxylatetrans-
trans-3-Hydroxymethyl-cyclobutanecarboxylic acid methyl ester
SCHEMBL13738558
trans-Methyl-3-(hydroxymethyl)cyclobutane-1-carboxylate
FT-0748566
A846256
methyl 3-(hydroxymethyl)cyclobutane-1-carboxylate
cis-3-Hydroxymethyl-cyclobutanecarboxylic acid methyl ester

MDL Number

MFCD13659363

FAQ

What are the physical and chemical properties of Methyl 3-(hydroxymethyl)cyclobutanecarboxylate (CAS: 89941-55-9)?

Methyl 3-(hydroxymethyl)cyclobutanecarboxylate (CAS: 89941-55-9) is a crystalline compound with a molecular weight of approximately 134.14 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is reactive, particularly in esterification and hydrolysis reactions, making it useful in various chemical syntheses and pharmaceutical applications.

How is Methyl 3-(hydroxymethyl)cyclobutanecarboxylate (CAS: 89941-55-9) typically synthesized?

Methyl 3-(hydroxymethyl)cyclobutanecarboxylate (CAS: 89941-55-9) is typically synthesized through the addition of methanol to 3-chlorocyclobutanone in the presence of a base such as potassium hydroxide. The reaction is conducted in a polar aprotic solvent like dimethylformamide (DMF) at room temperature, yielding a mixture of diastereomers with high selectivity. The product is then isolated and purified by recrystallization.

What industries use Methyl 3-(hydroxymethyl)cyclobutanecarboxylate (CAS: 89941-55-9)?

Methyl 3-(hydroxymethyl)cyclobutanecarboxylate (CAS: 89941-55-9) is used in the pharmaceutical industry for the synthesis of certain drug molecules due to its reactivity. It is also found in the polymer industry as a monomer for the production of functional polymers. Additionally, it has applications in the production of sensors and as a reagent in semiconductor manufacturing processes.

What precautions should be taken when handling Methyl 3-(hydroxymethyl)cyclobutanecarboxylate (CAS: 89941-55-9)?

When handling Methyl 3-(hydroxymethyl)cyclobutanecarboxylate (CAS: 89941-55-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spillage, use a fume hood and proper disposal methods as outlined in the safety data sheet (SDS).