methyl 4-hydroxyoxane-4-carboxylate

Basic Information

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CAS Number

115996-72-0

Molecular Formula

C7H12O4

Molecular Weight

160.17 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 Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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COC(=O)C1(CCOCC1)O

InChI

InChI=1S/C7H12O4/c1-10-6(8)7(9)2-4-11-5-3-7/h9H,2-5H2,1H3

InChIKey

YMKUGBABAIVMLG-UHFFFAOYSA-N

LogP

-0.29910000000000037

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

149

Synonyms & References

English

CS-D0320
methyl 4-hydroxytetrahydropyran-4-carboxylate
SY042146
SCHEMBL15125365
Methyl4-hydroxytetrahydro-2H-pyran-4-carboxylate
methyl 4-hydroxyoxane-4-carboxylate
A803541
2H-Pyran-4-carboxylic acid, tetrahydro-4-hydroxy-, methyl ester
FT-0657900
AMY33605
DTXSID40551344
BS-12350
EN300-108519
methyl 4-hydroxy-tetrahydro-2H-pyran-4-carboxylate
115996-72-0
SB22762
AKOS011495736
MFCD12031301
2H-Pyran-4-carboxylicacid,tetrahydro-4-hydroxy-,methylester(9CI)
Z965047650
Methyl 4-hydroxytetrahydro-2H-pyran-4-carboxylate
Tetrahydro-4-hydroxy-2H-pyran-4-carboxylic acid methyl ester, AldrichCPR
2H-Pyran-4-carboxylicacid, tetrahydro-4-hydroxy-, methyl ester
Methyl 4-hydroxytetrahydropyran-4-carboxylate
Tetrahydro-4-hydroxy-2H-pyran-4-carboxylic acid methyl ester
methyl 4-oxidanyloxane-4-carboxylate
RW4059
Tetrahydro-4-hydroxy-2H-
Methyl tetrahydro-4-hydroxy-2H-pyran-4-carboxylate
2611AA
NE27357

MDL Number

MFCD12031301

Customs Code

2932999099

FAQ

What are the physical and chemical properties of methyl 4-hydroxyoxane-4-carboxylate (CAS: 115996-72-0)?

Methyl 4-hydroxyoxane-4-carboxylate (CAS: 115996-72-0) is a white crystalline solid with a molecular weight of approximately 168.17 g/mol. It is soluble in polar solvents such as water and ethanol. This compound is known for its acidity and undergoes reactions such as esterification and nucleophilic substitution. It has a pKa of around 4.3, indicating moderate acidity.

How is methyl 4-hydroxyoxane-4-carboxylate (CAS: 115996-72-0) typically synthesized?

Methyl 4-hydroxyoxane-4-carboxylate (CAS: 115996-72-0) is typically synthesized through the condensation of methyl 4-chloroxane-1,2-dicarboxylate with sodium hydride in a solvent such as dimethylformamide (DMF). The reaction involves the displacement of the chlorine atom with a hydroxyl group, yielding the desired product in good yield. This synthesis is conducted under anhydrous conditions to prevent side reactions.

What industries use methyl 4-hydroxyoxane-4-carboxylate (CAS: 115996-72-0)?

Methyl 4-hydroxyoxane-4-carboxylate (CAS: 115996-72-0) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of other compounds. It is also utilized in the production of polymers for coatings and adhesives. Additionally, this compound finds applications in the development of sensors and semiconductors due to its chemical reactivity and electronic properties.

What precautions should be taken when handling methyl 4-hydroxyoxane-4-carboxylate (CAS: 115996-72-0)?

When handling methyl 4-hydroxyoxane-4-carboxylate (CAS: 115996-72-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up using absorbent material and disposed of according to local regulations. Always consult the safety data sheet (SDS) for detailed handling and disposal instructions.