15071-36-0

Basic information

• Product Name: [S,(+)]-2,3-Dimethyl-1-butanol
• Synonyms: [S,(+)]-2,3-Dimethyl-1-butanol
• CAS NO: 15071-36-0
• Molecular Formula: C₆H₁₄O
• Molecular Weight: 102.17476
• Product Categories: Aliphatics, Miscellaneous Reagents
• Mol File: 15071-36-0.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 64-66 °C(Press: 25 Torr)
• Appearance: /
• Density: 0.811±0.06 g/cm3(Predicted)
• Solubility: Chloroform, DCM, DMSO, Ethyl Acetate
• PKA: 15.01±0.10(Predicted)
• CAS DataBase Reference: [S,(+)]-2,3-Dimethyl-1-butanol(CAS DataBase Reference)
• NIST Chemistry Reference: [S,(+)]-2,3-Dimethyl-1-butanol(15071-36-0)
• EPA Substance Registry System: [S,(+)]-2,3-Dimethyl-1-butanol(15071-36-0)

Safety Data

• Hazardous Substances Data: 15071-36-0(Hazardous Substances Data)

Usage

Uses

(S)-2,3-Dimethyl-1-butanol is used in the syntehsis of phytosterols, a class of steroid compounds similar to cholesterol which occur in plants.

Upstream product

• 73739-24-9 (2s)-(+)-2,3-dimethyl-1-butanal 
• 75-09-2 dichloromethane 
• 97235-24-0 (S)-(+)-2-(1,2-dimethylpropyl)-1,3,2-dioxaborinane 
• 1449-60-1 5-dihydroergosteryl acetate 
• 563-78-0 2,3-Dimethyl-1-butene 
• 1172581-29-1 2-(2,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 1108-03-8 ergosterol acetate 
• 1067910-79-5 (S)-2-isopropyl-4-nitrobutan-1-ol 
• 189080-80-6 3-methyl-2-<(phenylsulfonyl)methyl>-1-butanol 
• 1380442-19-2 (R)-4-((tert-butyldiphenylsilyl)oxy)-2,3-dimethylbutan-2-ol 
• 1015422-42-0 (S)-2,3,N-trimethyl-N-[(S)-1-methyl-2-oxo-2-phenylethyl]-N-butyramide 
• 122778-32-9 (1R,3R,4S)-p-menthan-3-yl (2R)-2-hydroxymethyl-3-methylbutyrate 
• 122778-52-3 (S)-2-Chloromethyl-3-methyl-butyric acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester 
• 122778-25-0 (1R,3R,4S)-p-menthan-3-yl hydrogen isopropylmalonate 

Downstream Products

• 15164-29-1 (S)-1-bromo-2,3-dimethyl-butane 
• 71412-26-5 (+)(S)-(2.3-dimethyl-butyl)-acetate 
• 111042-72-9 (2S)-2,3-dimethylbutyl (S)-3,3,3-trifluoro-2-methoxy-2-phenylpropionate 
• 1380442-17-0 (S)-(+)-(2,3-dimethylbutyl)triphenylphosphonium iodide 
• 137143-33-0 (S)-2,3-dimethylbutyl 4-methylbenzenesulfonate 
• 68702-73-8 (R)-(-)-(2,3-dimethylbutyl)triphenylphosphonium iodide 
• 152912-17-9 (R)-2,3-dimethylbutyl 4-methylbenzenesulfonate 
• 139403-46-6 6β-methoxy-3α,5-cyclo-24-α-methyl-5α-cholestane 
• 15139-34-1 Toluene-4-sulfonic acid (S)-1-[(S)-1-((3S,8S,9S,10R,13S,14S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethyl]-3,4-dimethyl-pentyl ester 
• 1900-53-4 24-methylcholest-5-en-3β-yl acetate 
• 1900-53-4 campesteryl acetate 

Relevant articles and documents

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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.