2-Phenyl-2-propanol

Base Information

• Chemical Name: 2-Phenyl-2-propanol
• CAS No.: 617-94-7
• Molecular Formula: C9H12 O
• Molecular Weight: 136.194
• Hs Code.: 2906299090
• European Community (EC) Number: 210-539-5
• NSC Number: 212537,1261
• UNII: JE030BGE05
• DSSTox Substance ID: DTXSID3027247
• Nikkaji Number: J28.650H
• Wikidata: Q15726116
• Metabolomics Workbench ID: 108171
• ChEMBL ID: CHEMBL3185495
• Mol file: 617-94-7.mol

Synonyms:2-phenyl-2-propanol;2-phenylpropanol-2;dimethylphenylcarbinol

Chemical Property of 2-Phenyl-2-propanol

Chemical Property:

• Appearance/Colour: after melting, clear slightly yellow solid or liquid
• Vapor Pressure: 23Pa at 20℃
• Melting Point: 28-32 °C(lit.)
• Refractive Index: n20/D 1.5196(lit.)
• Boiling Point: 202 °C(lit.)
• PKA: 14.49±0.29(Predicted)
• Flash Point: 190 °F
• PSA: 20.23000
• Density: 0.973 g/mL at 25 °C(lit.)
• LogP: 1.91400
• Storage Temp.: Store at 0-5°C
• Solubility.: Chloroform, Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99.9% ^*data from raw suppliers

2-Phenyl-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC(C)(C1=CC=CC=C1)O
• Uses: 2-Phenyl-2-propanol is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 2-Phenyl-2-propanol

There total 541 articles about 2-Phenyl-2-propanol 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: 92.0%

C6H5C(Me)2OEOM (24142-64-1) + [(ethoxymethoxy)methyl]benzene (54673-14-2) → 1-methyl-1-phenylethyl alcohol (617-94-7) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With 1-methylimidazole hydrogen sulfate; at 120 ℃; for 0.05h; chemoselective reaction; Microwave irradiation;

DOI:10.1007/s00706-010-0373-6

Reference yield: 92.0%

benzyl methoxymethyl ether (31600-55-2) + O-(methoxymethyl)-2-phenyl-2-propanol (24142-63-0) → 1-methyl-1-phenylethyl alcohol (617-94-7) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With 1-methylimidazole hydrogen sulfate; at 120 ℃; for 0.05h; chemoselective reaction; Microwave irradiation;

DOI:10.1007/s00706-010-0373-6

Reference yield: 90.0%

O-(methoxymethyl)-2-phenyl-2-propanol (24142-63-0) + (1-methoxymethoxy)ethylbenzene (94073-86-6) → 1-methyl-1-phenylethyl alcohol (617-94-7) + 1-Phenylethanol (98-85-1,13323-81-4)

Guidance literature:

With 1-methylimidazole hydrogen sulfate; at 50 ℃; for 1h; chemoselective reaction;

DOI:10.1007/s00706-010-0373-6

upstream raw materials:

benzoic acid methyl ester

methyl magnesium iodide

tetrachloromethane

Cumene hydroperoxide

Downstream raw materials:

2,5-bis-(1-methyl-1-phenyl-ethyl)-thiophene

tert-butyl cumyl peroxide

3-chloro-propionic acid-(1-methyl-1-phenyl-ethylamide)

p-tolyl 2-phenyl-2-propyl sulfone

Refernces

• 1、 Beaune, Olivia,Finiels, Annie,Geneste, Patrick,Graffin, Patrick,Olive, Jean-Louis,Saaedan, Ahmed. "Zeolite Effect on the Oxidation of Hydrocarbons with Irradiated TiO2 Semiconductor". . p. 1649 - 1650. Retrieved 1992.
• 2、 Kimura,Ogata. "PHOTOOXIDATION OF SOME AROMATIC SULFONIC ACIDS WITH ALKALINE HYPOCHLORITE.". . p. 471 - 473. Retrieved 1983.
• 3、 Kasperczyk, Kornela,Orlinska, Beata,Zawadiak, Jan. "Aerobic oxidation of cumene catalysed by 4-Alkyloxycarbonyl-N- Hydroxyphthalimide". . p. 1176 - 1182. Retrieved 2014.
• 4、 Shimizu, Ikuma,Morimoto, Yuma,Velmurugan, Gunasekaran,Gupta, Tulika,Paria, Sayantan,Ohta, Takehiro,Sugimoto, Hideki,Ogura, Takashi,Comba, Peter,Itoh, Shinobu. "Characterization and Reactivity of a Tetrahedral Copper(II) Alkylperoxido Complex". . p. 11157 - 11165. Retrieved 2019.
• 5、 Sawada, Hideo,Ishigaki, Hideyo,Kato, Mitsukuni,Nakayama, Masaharu. "Kinetic Studies on the Cobalt(II) Naphthenate Catalyzed Decomposition of "Cumene Hydroperoxide" in Benzene". . p. 785 - 788. Retrieved 1991.
• 6、 Yin, Yanzhen,Jiao, Shufei,Lang, Chao,Liu, Junqiu. "A smart artificial glutathione peroxidase with temperature responsive activity constructed by host-guest interaction and self-assembly". . p. 25040 - 25050. Retrieved 2014.
• 7、 Baciocchi, Enrico,Bietti, Massimo,Di Fusco, Massimo,Lanzalunga, Osvaldo. "A kinetic study of the electron-transfer reaction of the phthalimide-N-oxyl radical (PINO) with ferrocenes". . p. 8748 - 8754. Retrieved 2007.
• 8、 Chodak, Ivan,Bakos, Dusan,Mihalov, Vincent. "Mechanism of the Reaction of Cumyloxyl Radicals in a Mixture of Hydrocarbons". . p. 1457 - 1459. Retrieved 1980.
• 9、 Fasciani, Chiara,Alejo, Carlos J. Bueno,Grenier, Michel,Netto-Ferreira, Jose Carlos,Scaiano. "High-temperature organic reactions at room temperature using plasmon excitation: Decomposition of dicumyl peroxide". . p. 204 - 207. Retrieved 2011.
• 10、 Narulkar, Dattaprasad D.,Patil, Amit R.,Naik, Chandan C.,Dhuri, Sunder N.. "Synthesis, characterization, cis-ligand substitution and catalytic alkane hydroxylation by mononuclear nickel(II) complexes stabilized with tetradentate tripodal ligands". . p. 248 - 258. Retrieved 2015.