1188911-72-9

Usage

Uses

Used in Organic Synthesis:
Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate is used as a reagent in organic synthesis for various reactions, including esterification and carbon-carbon bond formation. Its unique properties make it a valuable component in the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate is used as a solvent. Its ability to dissolve a wide range of compounds makes it useful in the development and manufacturing of various pharmaceutical products.
Used in Agrochemical Industry:
Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate is also utilized as a solvent in the agrochemical industry. Its solvent properties are beneficial in the formulation of agrochemical products, such as pesticides and herbicides, to improve their effectiveness and application.
Safety Precautions:
Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate is known to be harmful if swallowed, inhaled, or in contact with skin. Therefore, it should be handled with proper safety precautions, including wearing protective clothing, using appropriate respiratory protection, and working in a well-ventilated area.

InChI:InChI=1S/C6H9F3O2/c1-5(2,4(10)11-3)6(7,8)9/h1-3H3

Upstream product

• 13051-21-3 3-methoxy-2,2-dimethyl-3-oxopropanoic acid 
• 889940-13-0 3,3,3-trifluoro-2,2-dimethylpropanoic acid 
• 18107-18-1 diazomethyl-trimethyl-silane 

Downstream Products

• 1627856-64-7 2-(4-(4-ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fluorophenyl)-N-(5-(1,1,1- trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)acetamide 
• 1188911-74-1 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine 
• 1188910-76-0 CEP-32496 

Relevant academic research and scientific papers

MANUFACTURING METHOD OF 3,3,3-TRIFLUORO-2,2-DIALKYL PROPIONATE ESTER

PROBLEM TO BE SOLVED: To manufacture 3,3,3-trifluoro-2,2-dialkyl propionate ester useful as a manufacturing intermediate of a pharmaceutical compound simply with good yield. SOLUTION: 3,3,3-trifluoro-2,2-dialkyl propionate ester of the formula (II) is manufactured by reacting a monoester compound of the formula (I), where R1 to R3 represent each independently an alkyl group having 1 to 3 carbon atoms with SF4 in a presence of hydrofluoric acid anhydride (HF) of 1.5 to 100 times weight of the monoester compound. SELECTED DRAWING: None COPYRIGHT: (C)2016,JPOandINPIT

Identification of 1-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-(5-(1,1, 1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea hydrochloride (CEP-32496), a highly potent and orally efficacious inhibitor of V-RAF murine sarcoma viral oncogene homologue B1 (BRAF) V600E

The Ras/RAF/MEK/ERK mitogen-activated protein kinase (MAPK) signaling pathway plays a central role in the regulation of cell growth, differentiation, and survival. Expression of mutant BRAFV600E results in constitutive activation of the MAPK pathway, which can lead to uncontrolled cellular growth. Herein, we describe an SAR optimization campaign around a series of quinazoline derived BRAFV600E inhibitors. In particular, the bioisosteric replacement of a metabolically sensitive tert-butyl group with fluorinated alkyl moieties is described. This effort led directly to the identification of a clinical candidate, compound 40 (CEP-32496). Compound 40 exhibits high potency against several BRAFV600E-dependent cell lines and selective cytotoxicity for tumor cell lines expressing mutant BRAFV600E versus those containing wild-type BRAF. Compound 40 also exhibits an excellent PK profile across multiple preclinical species. In addition, significant oral efficacy was observed in a 14-day BRAFV600E-dependent human Colo-205 tumor xenograft mouse model, upon dosing at 30 and 100 mg/kg BID.