14002-80-3

Basic information

• Product Name: HYDROXYPIVALIC ACID METHYL ESTER
• Synonyms: HYDROXYPIVALIC ACID METHYL ESTER;METHYL HYDROXYPIVALATE;METHYL 2,2-DIMETHYL-3-HYDROXYPROPIONATE;2,2-DIMETHYL-3-HYDROXYPROPIONIC ACID METHYL ESTER;methyl 3-hydroxypivalate;AI3-28360;HYDROXY PIVALIC ACID METHYL ESTERS;2,2-Dimethyl-3-hydroxypropanoic acid methyl ester
• CAS NO: 14002-80-3
• Molecular Formula: C₆H₁₂O₃
• Molecular Weight: 132.16
• EINECS: 237-805-3
• Product Categories: C6 to C7;Carbonyl Compounds;Esters
• Mol File: 14002-80-3.mol

Chemical Properties

• Melting Point: -16 °C
• Boiling Point: 177-178 °C740 mm Hg(lit.)
• Flash Point: 169 °F
• Appearance: Clear colorless/Liquid
• Density: 1.036 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.105mmHg at 25°C
• Refractive Index: n20/D 1.428(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 14.21±0.10(Predicted)
• Water Solubility: Soluble in water
• CAS DataBase Reference: HYDROXYPIVALIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: HYDROXYPIVALIC ACID METHYL ESTER(14002-80-3)
• EPA Substance Registry System: HYDROXYPIVALIC ACID METHYL ESTER(14002-80-3)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• Hazardous Substances Data: 14002-80-3(Hazardous Substances Data)

Usage

Uses

Used in Chemical Industry:
HYDROXYPIVALIC ACID METHYL ESTER is used as an intermediate for the synthesis of various chemicals and compounds, such as methyl isobutyrate and formaldehyde, which are essential in the production of different products in the chemical industry.
Used in Pharmaceutical Industry:
HYDROXYPIVALIC ACID METHYL ESTER is used as a starting material for the development of pharmaceutical compounds, taking advantage of its decomposition properties to create useful intermediates in drug synthesis.
Used in Research and Development:
HYDROXYPIVALIC ACID METHYL ESTER is utilized in research and development for studying the kinetics of its decomposition, which can provide valuable insights into the behavior of similar compounds and contribute to the advancement of chemical knowledge and technology.

Synthesis Reference(s)

Journal of the American Chemical Society, 85, p. 1460, 1963 DOI: 10.1021/ja00893a017

Synthesis Reference(s)

The Journal of Organic Chemistry, 41, p. 585, 1976 DOI: 10.1021/jo00865a049

InChI:InChI=1/C6H12O3/c1-6(2,8)4-5(7)9-3/h8H,4H2,1-3H3

Upstream product

• 67-56-1 methanol 
• 4835-90-9 3-Hydroxy-2,2-dimethylpropanoic acid 
• 50-00-0 formaldehyd 
• 23426-63-3 2-bromo-2-methylpropionic acid methyl ester 
• 85433-67-6 methyl lithioisobutyrate 
• 58653-91-1 Isobuttersaeure-methoxymethylester 
• 597-31-9 2,2-dimethyl-3-hydroxypropionaldehyde 
• 31469-15-5 1-methoxy-2-methyl-1-trimethylsiloxy-1-propene 
• 13511-38-1 3-chloropivalic acid 
• 126-30-7 2,2-Dimethyl-1,3-propanediol 

Downstream Products

• 121706-27-2 C₁₁⁽¹⁴⁾CH₁₆O₄S 
• 361547-56-0 methyl 3-(tert-butyldimethylsilyloxy)-2,2-dimethyl-propanoate 
• 13865-20-8 methyl 2,2-dimethyl-3-oxopropanoate 
• 218445-67-1 3-[(1R,2S,3S,4R,5R)-3-Hydroxy-4-(toluene-4-sulfonyloxy)-6,8-dioxa-bicyclo[3.2.1]oct-2-yloxy]-2,2-dimethyl-propionic acid methyl ester 
• 292073-50-8 methyl 3-((tert-butyl(diphenyl)silyl)oxy)-2,2-dimethylpropanoate 
• 419561-89-0 2-methoxycarbonyl-2-methylpropyl methyl (E)-2,3-dibromobut-2-enedioate 
• 96556-40-0 methyl-3-(benzyloxy)-2.2-dimethylpropionate 
• 558437-61-9 methyl 3-(4-methoxyphenoxy)-2,2-dimethylpropionate 
• 126-30-7 2,2-Dimethyl-1,3-propanediol 
• 685544-62-1 2,2-dimethyl-3-(4-nitrophenoxycarbonyloxy)propionic acid methyl ester 
• 147159-26-0 2,2-Dimethyl-3-phenylsulfanyl-propionic acid methyl ester 
• 4835-90-9 3-Hydroxy-2,2-dimethylpropanoic acid 
• 171569-37-2 N-(2-chlorobenzyl)-3-hydroxy-2,2-dimethylpropanamide 
• 1006044-40-1 methyl 3-(5-(4-isopropylphenyl)-2H-tetrazol-2-yl)-2,2-dimethylpropanoate 

Relevant articles and documents

Oxidative esterification of homologous 1,3-propanediols

The oxidative esterification of a homologous series of diols (1,3-propanediol,2-methyl-propanediol and 2,2-dimethyl-1,3-propanediol) with methanol has been investigated using titania-supported gold, palladium and gold-palladium catalysts using molecular oxygen. The gold-palladium catalysts showed the highest activity and 1,3-propanediol was the most reactive while the additional methyl groups decreased the reactivity. However, it is possible to achieve high selectivity to methyl 3-hydroxypropionate and 2-methyl-3- hydroxyisobutyrate by mono-oxidations. Graphical Abstract: [Figure not available: see fulltext.]

Polycyclic amide derivative as CDK9 inhibitor, and preparation method and application thereof

The invention belongs to the technical field of polycyclic amide derivatives, and particularly relates to a polycyclic amide derivative as a CDK9 inhibitor, and a preparation method and application thereof. The polycyclic amide derivative shows excellent CDK9 enzyme inhibitory activity, and can be used for preparing drugs for treating cancers, especially hematologic cancers including acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia, follicular lymphoma and the like and solid tumors, such as acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia and follicular lymphoma, including breast cancer, prostate cancer, ovarian cancer, hepatocellular carcinoma, pancreatic cancer, kidney cancer, stomach cancer, colorectal cancer, lung cancer and the like.

Pyridineacetamide derivative serving as CDK inhibitor, and preparation method and application thereof

The invention belongs to the technical field of pyridineacetamide derivatives, and particularly relates to a pyridineacetamide derivative serving as a CDK inhibitor and a preparation method and application of the pyridine acetamide derivative. The pyridineacetamide derivative shows excellent CDK9/CDK7 enzyme inhibitory activity, and can be used for preparing drugs used for treating cancers, especially hematologic cancers including acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia, follicular lymphoma and the like and solid tumors such as breast cancer, prostate cancer, ovarian cancer, hepatocellular carcinoma, pancreatic cancer, kidney cancer, stomach cancer, colorectal cancer, lung cancer and the like.

1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES

Described are compounds of Formula I which find utility in the treatment of cancer, autoimmune diseases and metabolic bone disorders through inhibition of c-FMS (CSF-lR), c-KIT, and/or PDGFR kinases. These compounds also find utility in the treatment of other mammalian diseases mediated by c-FMS, c-KIT, or PDGFR kinases.

Solvent effect and reactivity trend in the aerobic oxidation of 1,3-propanediols over gold supported on titania: Nmr diffusion and relaxation studies

In recent work, it was reported that changes in solvent composition, precisely the addition of water, significantly inhibits the catalytic activity of Au/TiO2 catalyst in the aerobic oxidation of 1,4-butanediol in methanol due to changes in diffusion and adsorption properties of the reactant. In order to understand whether the inhibition mechanism of water on diol oxidation in methanol is generally valid, the solvent effect on the aerobic catalytic oxidation of 1,3-propanediol and its two methyl-substituted homologues, 2-methyl-1,3-propanediol and 2,2-dimethyl-1,3-propanediol, over a Au/TiO2 catalyst has been studied here using conventional catalytic reaction monitoring in combination with pulsed-field gradient nuclear magnetic resonance (PFG-NMR) diffusion and NMR relaxation time measurements. Diol conversion is significantly lower when water is present in the initial diol/methanol mixture. A reactivity trend within the group of diols was also observed. Combined NMR diffusion and relaxation time measurements suggest that molecular diffusion and, in particular, the relative strength of diol adsorption, are important factors in determining the conversion. These results highlight NMR diffusion and relaxation techniques as novel, non-invasive characterisation tools for catalytic materials, which complement conventional reaction data. In solvent company: The solvent effect on the aerobic catalytic oxidation of 1,3-propanediol and its two methyl-substituted homologues, 2-methyl-1,3-propanediol and 2,2-dimethyl-1,3-propanediol, over a Au/TiO 2 catalyst has been studied. The results show that diol conversion is significantly lower when water is present in the initial diol/methanol mixture. A reactivity trend within the group of diols was also observed. Copyright

Formal synthesis of (+)-SCH 351448: The Prins cyclization approach

The formal synthesis of (+)-SCH 351448 has been accomplished with the catalytic Prins cyclization strategy, yielding the monomeric unit as a single isomer. The Royal Society of Chemistry.

Heterocyclic compounds for the treatment of CNS and cardiovascular disorders

Novel aromatic bicyclic amines of formula (I) STR1 are useful in treating central nervous system disorders and cardiac arrhythmias and cardiac fibrillation.

Herbicidal 3-isoxazolidinones and hydroxamic acids

Novel 3-isoxazolidinone compounds and novel hydroxamic acid intermediates from which they are prepared exhibit herbicidal activity to grassy and broad-leaf plant species while leaving legumes, especially soybeans, unaffected. The preparation and herbicidal activity of the compounds is exemplified.