2-Phenyl-2-pentanol

Base Information

• Chemical Name: 2-Phenyl-2-pentanol
• CAS No.: 4383-18-0
• Molecular Formula: C11H16O
• Molecular Weight: 164.247
• Hs Code.: 2906299090
• European Community (EC) Number: 651-790-4
• NSC Number: 25541
• Nikkaji Number: J478.269K
• Mol file: 4383-18-0.mol

Synonyms:2-Phenyl-2-pentanol;2-phenylpentan-2-ol;4383-18-0;2-Phenyl-pentan-2-ol;Benzenemethanol, .alpha.-methyl-.alpha.-propyl-;NSC25541;SCHEMBL297345;YBQOTTAEVBHNEJ-UHFFFAOYSA-N;MFCD00046592;NSC 25541;NSC-25541;AKOS009156649;AS-81354;CS-0452518;FT-0635256

Chemical Property of 2-Phenyl-2-pentanol

Chemical Property:

• Vapor Pressure: 0.0839mmHg at 25°C
• Refractive Index: 1.5173 (estimate)
• Boiling Point: 216°C at 760 mmHg
• Flash Point: 96.6°C
• PSA: 20.23000
• Density: 0.965g/cm³
• LogP: 2.69420
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

2-PHENYL-PENTAN-2-OL AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)(C1=CC=CC=C1)O

Technology Process of 2-Phenyl-2-pentanol

There total 17 articles about 2-Phenyl-2-pentanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

methyl magnesium iodide (917-64-6) + propiophenone (495-40-9) → 2-phenyl-pentan-2-ol (4383-18-0)

Guidance literature:

In diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1039/c39860000457

Reference yield: 88.0%

2-phenylpent-4-en-2-ol (4743-74-2) → 2-phenyl-pentan-2-ol (4383-18-0)

Guidance literature:

With palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In dichloromethane; at 25 ℃; for 12h; Schlenk technique; Inert atmosphere;

Reference yield: 81.0%

triphenylboroxine (3262-89-3) + 2-Pentanone (107-87-9) → 2-phenyl-pentan-2-ol (4383-18-0)

Guidance literature:

triphenylboroxine; 2-Pentanone; With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium carbonate; In toluene; at 90 - 110 ℃;

With hydrogenchloride; In water; toluene;

DOI:10.1021/ol300275s

upstream raw materials:

2-Hydroxy-2-methyl-pentanenitrile

propylmagnesium iodide

acetophenone

2-Pentanone

Downstream raw materials:

(E/Z)-2-phenylpent-2-ene

(1-methyl-1-chlorobutyl)benzene

α-n-propylstyrene

(Z)-2-phenyl-2-pentene

Refernces

• 1、 Wang, Yong,Cao, Xinyi,Zhao, Leyao,Pi, Chao,Ji, Jingfei,Cui, Xiuling,Wu, Yangjie. "Generalized Chemoselective Transfer Hydrogenation/Hydrodeuteration". supporting information. p. 4119 - 4129. Retrieved 2020/08/10.
• 2、 Santschi, Nico,Matthey, Coraline,Schwenk, Rino,Otth, Elisabeth,Togni, Antonio. "On the effect of backbone modifications in 3,3-dimethyl-1-(trifluoromethyl)-3H-1λ3,2-benziodaoxole". supporting information. p. 1925 - 1931. Retrieved 2015/03/18.