14002-80-3 | Hydroxypivalic acid methyl ester

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$14.00	$10.00
100g	98%	in stock	$29.00	$21.00

Description

• Catalog Number: AB75525
• Chemical Name: Hydroxypivalic acid methyl ester
• CAS Number: 14002-80-3
• Molecular Formula: C6H12O3
• Molecular Weight: 132.1577
• MDL Number: MFCD00021840
• SMILES: OCC(C(=O)OC)(C)C

Computed Properties

• Complexity: 107
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 0.3

Upstream Synthesis Route

Methyl 3-hydroxy-2,2-dimethylpropanoate is a versatile compound widely used in chemical synthesis. It serves as a key building block in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. Due to its unique structure, Methyl 3-hydroxy-2,2-dimethylpropanoate can participate in a range of chemical transformations, making it a valuable intermediate in organic synthesis.One important application of Methyl 3-hydroxy-2,2-dimethylpropanoate is as a starting material for the synthesis of chiral molecules. It can be readily converted into chiral synthons through selective functional group transformations, allowing chemists to access enantiomerically pure compounds with high stereochemical control. This capability is particularly valuable in the pharmaceutical industry, where the stereochemistry of a molecule can significantly influence its biological activity.Additionally, Methyl 3-hydroxy-2,2-dimethylpropanoate can be utilized in the synthesis of ester derivatives for flavor and fragrance applications. By incorporating this compound into the molecular structure of various aroma compounds, chemists can tailor the sensory profiles of final products, enhancing their overall quality and appeal.In summary, the diverse reactivity and structural properties of Methyl 3-hydroxy-2,2-dimethylpropanoate make it a valuable tool in the hands of synthetic chemists for the preparation of complex molecules with strategic importance in pharmaceuticals, agrochemicals, and flavor and fragrance industries.

Literature

• Joint experimental and theoretical studies of the mechanism for the gas phase elimination kinetics of methyl 2,2-dimethyl-3-hydroxypropionate.

  The journal of physical chemistry. A 20090416

• 2,2-Functionalized analogues of 1alpha,25-dihydroxyvitamin D3, the potent inducers of cell differentiation.

  The Journal of steroid biochemistry and molecular biology 20040501