92111-70-1

Usage

Molecular Weight

223.32 g/mol The molecular weight of 2-(Benzylamino)-4-methylpentan-1-ol is 223.32 g/mol, which is the sum of the atomic weights of all the atoms in the molecule.

Physical State

Liquid 2-(Benzylamino)-4-methylpentan-1-ol is a liquid at room temperature.

Boiling Point

300-303°C The boiling point of 2-(Benzylamino)-4-methylpentan-1-ol is 300-303°C, which is the temperature at which the compound changes from a liquid to a gas.

Melting Point

Unknown The melting point of 2-(Benzylamino)-4-methylpentan-1-ol is not mentioned in the provided material.

Solubility

Insoluble in water, soluble in organic solvents 2-(Benzylamino)-4-methylpentan-1-ol is insoluble in water but soluble in organic solvents such as ethanol and methanol.

Functional Groups

Benzene ring, amino group, pentanol chain, and methyl group 2-(Benzylamino)-4-methylpentan-1-ol contains several functional groups, including a benzene ring, an amino group, a pentanol chain, and a methyl group attached to the fourth carbon.

Usage

Pharmaceutical industry, chiral auxiliary, catalytic asymmetric hydroboration reactions, and organic synthesis 2-(Benzylamino)-4-methylpentan-1-ol is commonly used in the pharmaceutical industry as a precursor for the synthesis of various drugs and pharmaceuticals. It has also been studied for its potential use as a chiral auxiliary in asymmetric synthesis and as a ligand in catalytic asymmetric hydroboration reactions. Additionally, it has applications in organic synthesis and may have potential uses in other industries as well.

Upstream product

• 1466-83-7 (R)-2-benzamido-4-methylpentanoic acid 
• 98-88-4 benzoyl chloride 
• 328-38-1 (R)-leucine 
• 7533-40-6 2-amino-4-methyl-1-pentanol 
• 100-39-0 benzyl bromide 

Downstream Products

• 1263196-93-5 C₂₆H₄₁ClN₄O₃*C₄H₄O₄ 
• 1415413-53-4 C₃₂H₄₄ClN₅O₇S 
• 1263196-92-4 C₂₆H₄₁ClN₄O₃ 

Relevant academic research and scientific papers

Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5- oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors

Utilizing X-ray crystal structure analysis, (3S,5R)-5-[4-(2-chlorophenyl)- 2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides were designed and identified as renin inhibitors. The most potent compound 15 demonstrated favorable pharmacokinetic and

Combining Magnetic Resonance Spectroscopies, Mass Spectrometry, and Molecular Dynamics: Investigation of Chiral Recognition by 2,6-di-O-Methyl-β-cyclodextrin

EPR spectroscopy has been employed to investigate the formation of complexes between heptakis-(2,6-O-dimethyl)-β-cyclodextrin (DM-β-CD) and different enantiomeric pairs of chiral nitroxides of general structure PhCH2N(O·)CH(R)R′. Accurate equilibrium measurements of the concentrations of free and included radicals afforded the binding constant values for these nitroxides. The relationship between the stereochemistry of the DM-β-CD complexes and the thermodynamics of complexation was elucidated by correlating EPR data with 1H-1H NOE measurements carried out on the complexes between DM-β-CD and the structurally related amine precursors of nitroxides. NOE data suggested that inclusion of the stereogenic center in the DM-β-CD cavity occurs only when the R substituent linked to the chiral carbon contains an aromatic ring. For these types of complexes, molecular dynamics simulation indicated that the depth of penetration of the stereogenic center into the cyclodextrin cavity is determined by the nature of the second substituent (R′) at the asymmetric carbon and is responsible for the observed chiral selectivity. Analysis of mass spectra showed that, for the presently investigated amines, electrostatic external adducts of CDs with protonated amines are detected by ESI-MS.