14287-61-7

Usage

Uses

Used in Pharmaceutical Industry:
2,3,3-TRIMETHYLPROPIONIC ACID is used as an intermediate in the synthesis of various pharmaceutical compounds for [application reason]. Its unique structural properties make it a valuable building block in the development of new drugs.
Used in Chemical Industry:
In the chemical industry, 2,3,3-TRIMETHYLPROPIONIC ACID is used as a key component in the production of specialty chemicals, such as fragrances, flavorings, and additives, due to its distinctive chemical structure and properties.
Used in Research and Development:
2,3,3-TRIMETHYLPROPIONIC ACID serves as an important research compound for studying the effects of chirality on chemical reactions and the development of enantioselective synthesis methods. Its presence in various applications allows researchers to explore its potential in creating novel materials and compounds.

InChI:InChI=1S/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)

Upstream product

• 4411-97-6 2,3-dimethyl-2-butenoic acid 
• 934243-00-2 (-)-(3R,1E)-[tert-butyl-(3,4-dimethyl-pent-1-enyl)(dimethyl)]silane 
• 1177010-10-4 2-butyl-5-(1,2-dimethylpropyl)furan 
• 1432629-51-0 (R)-4-benzyl-3-((R)-2,3-dimethylbutanoyl)oxazolidin-2-one 
• 108-12-3 isopentanoyl chloride 
• 75847-97-1 isopropyl-methyl-malonic acid 
• 15877-57-3 3-methylpentanal 
• 4372-15-0 sec-butyl-malonic acid 
• 563-78-0 2,3-Dimethyl-1-butene 
• 49642-48-0 2,3-dimethylbutanal 
• 631-65-2 2-chloro-3-methyl-butane 
• 124-38-9 carbon dioxide 
• 5402-54-0 α,β-dimethyl-β-propiolactone 
• 201230-82-2 carbon monoxide 

Downstream Products

• 15071-36-0 (R)-2,3-dimethylbutan-1-ol 
• 19550-30-2 2,3-dimethylbutanol 
• 14287-61-7 (2R)-2,3-Dimethylbutanoic acid 
• 107640-38-0 N-<1-(N,N-Dimethylthiocarbamoyl)-1,2-dimethylpropyl>benzamid 
• 107195-11-9 4-Isopropyl-4-methyl-2-phenyl-1,3-thiazol-5(4H)-thion 
• 71412-26-5 acetic acid-(2,3-dimethyl-butyl ester) 
• 30540-31-9 1-bromo-2,3-dimethyl-butane 
• 1900-53-4 24-methylcholest-5-en-3β-yl acetate 
• 1900-53-4 campesteryl acetate 
• 92195-87-4 N-Methyl-2,3-dimethyl-buttersaeure-anilid 
• 51760-90-8 2,3-dimethylbutyryl chloride 
• 1427179-50-7 2,6-dimethylphenyl 2,3-dimethylbutanoate 
• 1427179-67-6 (Z)-3,3-dimethyl-1-phenylbut-1-en-1-yl diphenylphosphate 
• 1427179-68-7 (E)-3,3-dimethyl-1-phenylbut-1-en-1-yl diphenylphosphate 

Relevant academic research and scientific papers

Structure-activity relationship observations for the bagworm moth pheromone

Structure-activity relationship (SAR) observations were made for the bagworm moth pheromone. (R)-2-pentyl decanoate, and a series of analogs with modifications in the alcohol portion of the molecule. Observed attractiveness of these analogs was related to molecular structure and their physical attributes using computational chemistry. Electrostatic potential and Van der Waals (VdW) electrostatic coded surface three-dimensional (3D) maps of the molecular mechanics (MM) minimized lowest energy conformation of the pheromone show that size, shape, charge distribution, and chirality of the molecule are related to attractiveness.

Functionalization of α-C(sp3)?H Bonds in Amides Using Radical Translocating Arylating Groups

α-C?H arylation of N-alkylamides using 2-iodoarylsulfonyl radical translocating arylating (RTA) groups is reported. The method allows the construction of α-quaternary carbon centers in amides. Various mono- and disubstituted RTA-groups are applied to the arylation of primary, secondary, and tertiary α-C(sp3)?H-bonds. These radical transformations proceed in good to excellent yields and the cascades comprise a 1,6-hydrogen atom transfer, followed by a 1,4-aryl migration with subsequent SO2 extrusion.

Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands

A previously studied congeneric series of thermolysin inhibitors addressing the solvent-accessible S2′ pocket with different hydrophobic substituents showed modulations of the surface water layers coating the protein-bound inhibitors. Increasing stabilization of water molecules resulted in an enthalpically more favorable binding signature, overall enhancing affinity. Based on this observation, we optimized the series by designing tailored P2′ substituents to improve and further stabilize the surface water network. MD simulations were applied to predict the putative water pattern around the bound ligands. Subsequently, the inhibitors were synthesized and characterized by high-resolution crystallography, microcalorimetry, and surface plasmon resonance. One of the designed inhibitors established the most pronounced water network of all inhibitors tested so far, composed of several fused water polygons, and showed 50-fold affinity enhancement with respect to the original methylated parent ligand. Notably, the inhibitor forming the most perfect water network also showed significantly prolonged residence time compared to the other tested inhibitors.

Unactivated C(sp3)-H hydroxylation through palladium catalysis with H2O as the oxygen source

A novel palladium catalyzed hydroxylation of unactivated aliphatic C(sp3)-H bonds was successfully developed. Different from conventional methods, water serves as the hydroxyl group source in the reaction. This new reaction demonstrates good reactivity and broad functional group tolerance. The C-H hydroxylated products can be readily transformed into various highly valuable chemicals via known transformations. Based on experimental and theoretical studies, a mechanism involving the Pd(ii)/(iv) pathway is proposed for this hydroxylation reaction.

Developing Pd(II) catalyzed double sp3 C-H alkoxylation for synthesis of symmetric and unsymmetric acetals

An effective Pd(II) catalyzed double unactivated C(sp3)-H alkoxylation has been developed to prepare both symmetric and unsymmetric acetals. This new reaction demonstrates good functional group tolerance, excellent reactivity, and high yields. A variety of novel acetals can be readily accessed via this new method. (Chemical Equation Presented).

SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF

The present invention relates to a spirobenzylamine-phosphine, preparation method therefor and use thereof. The compound has a structure represented by formula (I), wherein n=0 to 3; R1, R2, R3, R4, R5, R6, R7, R8 and R9 having a value as defined in claim 1. Starting from the substituted 7-trifluoromesyloxy-7'-diarylphosphino-1, 1'-spiro-dihydroindene, the compound is synthesized in a two-step or three-step reactions. The new spirobenzylamine-phosphine is complexed with an iridium precursor and is subjected to ion exchange, to give an Iridium/spirobenzylamine-phosphine complex comprising various anions. The spiro benzyl amine-phosphine/Iridium complex according to the present invention may be used for catalyzing asymmetry hydrogenation of a variety of alpha-substituted acrylic acids, has high activity and enantio-selectivity, and has a good prospect of industrialization.

Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof

The present invention relates to a spirobenzylamine-phosphine, preparation method therefor and use thereof. The compound has a structure represented by formula (I), wherein n=0 to 3; R1, R2, R3, R4, R5, R6, R7, R8 and R9 having a value as defined in claim 1. Starting from the substituted 7-trifluoromesyloxy-7′-diarylphosphino-1,1′-spiro-dihydroindene, the compound is synthesized in a two-step or three-step reactions. The new spirobenzylamine-phosphine is complexed with an iridium precursor and is subjected to ion exchange, to give an Iridium/spirobenzylamine-phosphine complex comprising various anions. The spiro benzyl amine-phosphine/Iridium complex according to the present invention may be used for catalyzing asymmetry hydrogenation of a variety of alpha-substituted acrylic acids, has high activity and enantio-selectivity, and has a good prospect of industrialization.

Use of ethyl (benzothiazol-2-ylsulfonyl)acetate for malonic ester-type syntheses of carboxylic acids and esters

A new methodology for the synthesis of substituted carboxylic acids is described. Alkylation of either ethyl (benzothiazol-2-ylsulfonyl)acetate or ethyl 2-(benzothiazol-2-ylsulfonyl)propionate was achieved with alkyl halides and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in dichloromethane solution. These products were then desulfinated and hydrolysed in one-pot under mild conditions to give substituted acetic acids in good-to-excellent yields.

Efficient diastereoselective synthesis of (2R,3R,4R)-2-amino-3-hydroxy-4,5- dimethylhexanoic acid, the lactone linkage unit of homophymine A

For the total synthesis of novel cyclodepsipeptide homophymine A, (2R,3R,4R)-2-amino-3-hydroxy-4,5- dimethylhexanoic acid was successfully synthesized by Evans' asymmetric alkylation and the anti-selective asymmetric hydrogenation of a chiral α-amino-β-keto ester as the key steps.

Syntheses and evaluation of anticonvulsant activity of novel branched alkyl carbamates

A novel class of 19 carbamates was synthesized, and their anticonvulsant activity was comparatively evaluated in the rat maximal electroshock (MES) and subcutaneous metrazol (scMet) seizure tests and pilocarpine-induced status epilepticus (SE) model. In spite of the alkyl-carbamates' close structural features, only compounds 34, 38, and 40 were active at the MES test. The analogues 2-ethyl-3-methyl-butyl-carbamate (34) and 2-ethyl-3-methyl-pentyl- carbamate (38) also exhibited potent activity in the pilocarpine-SE model 30 min postseizure onset. Extending the aliphatic side chains of homologous carbamates from 7 to 8 (34 to 35) and from 8 to 9 carbons in the homologues 38 and 43 decreased the activity in the pilocarpine-SE model from ED50 = 81 mg/kg (34) to 94 mg/kg (35) and from 96 mg/kg (38) to 114 mg/kg (43), respectively. The most potent carbamate, phenyl-ethyl-carbamate (47) (MES ED50 = 16 mg/kg) contains an aromatic moiety in its structure. Compounds 34, 38, 40, and 47 offer the optimal efficacy-safety profile and, consequently, are promising candidates for development as new antiepileptics.