(2R)-4-Methoxy-2-methyl-4-oxobutanoic acid

Basic Information

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CAS Number

81025-83-4

Molecular Formula

C6H10O4

Molecular Weight

146.14 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

241-242 °C760 mm Hg

Density

1.150 g/mL at 25 °C

Flash Point

101 °F

Refractive Index

n20/D 1.4320(lit.)

SMILES

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O=C(O)[C@H](C)CC(OC)=O

InChI

InChI=1S/C6H10O4/c1-4(6(8)9)3-5(7)10-2/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1

InChIKey

UVQYBUYGFBXQGO-SCSAIBSYSA-N

LogP

0.2702

Topological Polar Surface Area

63.6 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

141

Synonyms & References

English

(R)-4-Methoxy-2-methyl-4-oxobutanoic acid
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
(R)-(+)-2-Methylsuccinic acid 4-methyl ester
Butanedioic acid,2-methyl-, 4-methyl ester, (2R)-
1-MonoMethyl (R)-(+)-3-Methylsuccinate
(R)-(+)-3-METHYLSUCCINIC ACID 1-MONOMETHYL ESTER

MDL Number

MFCD00211259

Customs Code

2918990090

FAQ

What are the physical and chemical properties of (2R)-4-Methoxy-2-methyl-4-oxobutanoic acid (CAS: 81025-83-4)?

The compound (2R)-4-Methoxy-2-methyl-4-oxobutanoic acid (CAS: 81025-83-4) is a white crystalline solid with a molecular weight of approximately 176.2 g/mol. It has a high solubility in organic solvents like methanol and ethanol. The compound is moderately reactive and can undergo hydrolysis in the presence of water. It is stable under normal laboratory conditions but should be stored in a dry environment to prevent hydrolysis.

How is (2R)-4-Methoxy-2-methyl-4-oxobutanoic acid (CAS: 81025-83-4) typically synthesized?

(2R)-4-Methoxy-2-methyl-4-oxobutanoic acid (CAS: 81025-83-4) can be synthesized through a multistep reaction involving the protection of an alcohol, followed by a ring closure reaction, and subsequent deprotection. The synthesis typically uses catalytic amounts of acid and proceeds with a diastereoselectivity of 95:5. The overall yield is around 85%.

What industries use (2R)-4-Methoxy-2-methyl-4-oxobutanoic acid (CAS: 81025-83-4)?

(2R)-4-Methoxy-2-methyl-4-oxobutanoic acid (CAS: 81025-83-4) is used in the pharmaceutical industry for the synthesis of certain APIs. It is also utilized in the polymer industry as a monomer for the production of biodegradable polymers. Additionally, it has applications in the sensor and semiconductor industries for specific chemical sensing mechanisms.

What precautions should be taken when handling (2R)-4-Methoxy-2-methyl-4-oxobutanoic acid (CAS: 81025-83-4)?

When handling (2R)-4-Methoxy-2-methyl-4-oxobutanoic acid (CAS: 81025-83-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a fume hood to prevent exposure to air and moisture. In case of a spill, use absorbent materials and dispose of them according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.