27855-05-6

Basic information

• Product Name: (R)-2,3-Dimethylbutanoicacid
• Synonyms: (R)-2,3-Dimethylbutanoicacid;(2R)-2,3-DIMETHYLBUTANOIC ACID
• CAS NO: 27855-05-6
• Molecular Formula: C₆H₁₂O₂
• Molecular Weight: 116.16
• Product Categories: Aliphatics;Chiral Reagents;Miscellaneous Reagents
• Mol File: 27855-05-6.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 191 ºC
• Flash Point: 83 ºC
• Appearance: /
• Density: 0.944
• Vapor Pressure: 0.236mmHg at 25°C
• Refractive Index: 1.4136
• CAS DataBase Reference: (R)-2,3-Dimethylbutanoicacid(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-2,3-Dimethylbutanoicacid(27855-05-6)
• EPA Substance Registry System: (R)-2,3-Dimethylbutanoicacid(27855-05-6)

Safety Data

• Hazardous Substances Data: 27855-05-6(Hazardous Substances Data)

Usage

Uses

(R)-2,3-Dimethylbutyric Acid (cas# 27855-05-6) is a compound useful in organic synthesis.

InChI:InChI=1/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)/t5-/m1/s1

Upstream product

• 14287-61-7 2,3-dimethylbutyric acid 
• 2458-53-9 brassicasterol acetate 
• 4411-97-6 2,3-dimethyl-2-butenoic acid 
• 934243-00-2 (-)-(3R,1E)-[tert-butyl-(3,4-dimethyl-pent-1-enyl)(dimethyl)]silane 
• 13979-28-7 ethyl 2,3-dimethylbut-2-enoate 
• 102817-14-1 (S)-(+)-S-<(E)-3-Methyl-1-enyl>-S-phenyl-N-(toluene-p-sulfonyl)sulfoximine 
• 181489-43-0 (R)-S-Phenyl-S-((E)-1-trimethylsilyl-3-methylbut-1-enyl)-N-(toluene-p-sulfonyl)sulfoximine 
• 1177010-10-4 2-butyl-5-(1,2-dimethylpropyl)furan 
• 1309466-70-3 C₁₃H₁₈ 
• 4465-04-7 2-iso-propyl acrylic acid 
• 1432629-51-0 (R)-4-benzyl-3-((R)-2,3-dimethylbutanoyl)oxazolidin-2-one 
• 108-12-3 isopentanoyl chloride 

Downstream Products

• 15071-36-0 (R)-2,3-dimethylbutan-1-ol 
• 1177010-13-7 (R)-N-phenyl-2,3-dimethylbutanamide 
• 1391831-29-0 C₁₇H₂₆N₂O₃ 

Relevant articles and documents

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.

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.

Enantioselective hydrogenation of α-substituted acrylic acids catalyzed by iridium complexes with chiral spiro aminophosphine ligands

Highly active: Iridium complexes with chiral spiro aminophosphine ligands were synthesized and applied as catalysts for the asymmetric hydrogenation of α-substituted acrylic acids (see scheme). The complexes were highly active catalysts, showing turnover frequencies of up to 6000 h-1, and catalyst loadings could be reduced to 0.01 mol %. Copyright