56836-93-2

Basic information

• Product Name: 3-methyl-4-phenylbutan-2-ol
• Synonyms: 3-methyl-4-phenylbutan-2-ol;3-Methyl-4-phenyl-2-butanol;alpha,beta-Dimethylbenzenepropanol;3-Methyl-4-phenylbutane-2-ol;α,β-Dimethylbenzene-1-propanol;Ai3-24792;Benzenepropanol, alpha,beta-dimethyl-;Einecs 260-398-9
• CAS NO: 56836-93-2
• Molecular Formula: C₁₁H₁₆O
• Molecular Weight: 164.24414
• EINECS: 260-398-9
• Mol File: 56836-93-2.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 257.2°Cat760mmHg
• Flash Point: 106.7°C
• Appearance: /
• Density: 0.965g/cm³
• Vapor Pressure: 0.00755mmHg at 25°C
• Refractive Index: 1.513
• Water Solubility: 3.3g/L at 24℃
• CAS DataBase Reference: 3-methyl-4-phenylbutan-2-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methyl-4-phenylbutan-2-ol(56836-93-2)
• EPA Substance Registry System: 3-methyl-4-phenylbutan-2-ol(56836-93-2)

Safety Data

• Hazardous Substances Data: 56836-93-2(Hazardous Substances Data)

Usage

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C11H16O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3

Upstream product

• 17488-65-2 4-phenylbut-3-en-2-ol 
• 917-54-4 methyllithium 
• 87422-10-4 (E)-3-methyl-4-phenyl-but-3-en-2-ol 
• 42968-14-9 (E)-3-methyl-4-phenyl-3-buten-2-one 
• 5445-77-2 2-benzylpropionaldehyde 
• 18006-13-8 methyltriisopropoxytitanium(IV) 
• 75-16-1 methylmagnesium bromide 
• 97-94-9 triethyl borane 
• 152959-29-0 (+/-)-1-phenyl-2-(phenylsulfonyl)propane 
• 100-39-0 benzyl bromide 
• 123-62-6 propionic acid anhydride 
• 100-52-7 benzaldehyde 
• 591-50-4 iodobenzene 
• 10473-14-0 3-methyl-3-buten-2-ol 

Downstream Products

• 34362-37-3 acetic acid-(1,2-dimethyl-3-phenyl-propyl ester) 
• 21869-55-6 3-methyl-4-phenylbutan-2-one 
• 84137-58-6 (3-Chloro-2-methyl-butyl)-benzene 
• 102756-60-5 opt. inakt. <3-Methyl-4-phenyl-butyl-(2)>-N--carbamat 
• 3968-91-0 (Z)-1-phenyl-2-methyl-2-butene 
• 125830-08-2 (2R*,3R*)-2-methoxy-3-methyl-4-phenylbutane 
• 125830-10-6 (2S*,3R*)-2,3-dimethyl-4-phenylbutanecarbonitrile 

Relevant articles and documents

Capturing the Monomeric (L)CuH in NHC-Capped Cyclodextrin: Cavity-Controlled Chemoselective Hydrosilylation of α,β-Unsaturated Ketones

The encapsulation of copper inside a cyclodextrin capped with an N-heterocyclic carbene (ICyD) allowed both to catch the elusive monomeric (L)CuH and a cavity-controlled chemoselective copper-catalyzed hydrosilylation of α,β-unsaturated ketones. Remarkably, (α-ICyD)CuCl promoted the 1,2-addition exclusively, while (β-ICyD)CuCl produced the fully reduced product. The chemoselectivity is controlled by the size of the cavity and weak interactions between the substrate and internal C?H bonds of the cyclodextrin.

Asymmetric hydrogenation of allylic alcohols using ir?N,P-Complexes

In this study, a series of γ,γ-disubstituted and β,γ-disubstituted allylic alcohols were prepared and successfully hydrogenated using suitable N,P-based Ir complexes. High yields and excellent enantioselectivities were obtained for most of the substrates studied. This investigation also revealed the effect of the acidity of the N,P?Ir-complexes on the acid-sensitive allylic alcohols. DFT ΔpKa calculations were used to explain the effect of the N,P-ligand on the acidity of the corresponding Ir-complex. The selectivity model of the reaction was used to accurately predict the absolute configuration of the hydrogenated alcohols.

N-heterocyclic carbene-catalyzed hydrosilylation of styryl and propargylic alcohols with dihydrosilanes

Reducing alkenes to tears: Addition of structurally diverse N-heterocyclic carbenes (NHCs) to silicon allows the reduction of propargylic and styryl alcohols through an organocatalyzed silylation/direct hydride transfer tandem reaction (see scheme). Catalytic turnover is enabled by the switch to and from hypervalent silicon. This provides a new synthetic application of NHC-main group element complexes. Copyright