1-(2-Methylphenyl)ethanol

Base Information

• Chemical Name: 1-(2-Methylphenyl)ethanol
• CAS No.: 7287-82-3
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 2906299090
• European Community (EC) Number: 230-716-0
• DSSTox Substance ID: DTXSID60948555
• Nikkaji Number: J212.285E
• Mol file: 7287-82-3.mol

Synonyms:1-(2-Methylphenyl)ethanol;7287-82-3;o-Tolyl methylcarbinol;1-(2-methylphenyl)ethan-1-ol;1-(o-Tolyl)ethan-1-ol;1-o-tolylethanol;alpha-2-Dimethylbenzyl alcohol;EINECS 230-716-0;MFCD00046632;AI3-21992;m-Tolyl methylcarbinol;2-tolylethanol;1-o-tolyl-ethanol;Methyl o-tolyl carbinol;o-methyl-1-phenylethanol;1-(o-methylphenyl)ethanol;2,5-Dibromo-nicotinic acid;SCHEMBL231827;alpha,2-Dimethylbenzenemethanol;.alpha.,2-Dimethylbenzyl alcohol;DTXSID60948555;Benzenemethanol, alpha,2-dimethyl-;AKOS000249590;AKOS016050390;Benzenemethanol, .alpha.,2-dimethyl-;SB47026;1-(2-Methylphenyl)ethanol, AldrichCPR;AS-31293;SY005056;CS-0094860;FT-0605553;EN300-45520;Z335245068

Chemical Property of 1-(2-Methylphenyl)ethanol

Chemical Property:

• Refractive Index: 1.5315
• Boiling Point: 215.7°Cat760mmHg
• PKA: 14.44±0.20(Predicted)
• Flash Point: 104.2°C
• PSA: 20.23000
• Density: 0.995g/cm³
• LogP: 2.04830
• Storage Temp.: Sealed in dry,Room Temperature
• 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% ^*data from raw suppliers

1-(2-Methylphenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 2205145
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(C)O

Technology Process of 1-(2-Methylphenyl)ethanol

There total 98 articles about 1-(2-Methylphenyl)ethanol 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: 98.0%

1-methyl-2-vinyl-benzene (611-15-4) → 1-O-tolyl-ethanol (7287-82-3)

Guidance literature:

With oxygen; tetraethylammonium borohydride; 5,10,15,20-tetraphenyl-21H,23H-porphine cobalt(II); In 1,2-dimethoxyethane; isopropyl alcohol; for 72h; Ambient temperature;

DOI:10.1021/jo00183a020

Reference yield: 94.0%

2-Ethyltoluene (611-14-3) → 1-O-tolyl-ethanol (7287-82-3)

Guidance literature:

With wild type cytochrome P₄₅₀ CYP₁₀₂A₁(P₄₅₀Bm₃); oxygen; NADPH; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/cctc.201700116

Reference yield: 90.0%

4,4,5,5-tetramethyl-2-(1-(o-tolyl)ethoxy)-1,3,2-dioxaborolane → 1-O-tolyl-ethanol (7287-82-3)

Guidance literature:

With silica gel; at 25 ℃; Inert atmosphere; Glovebox;

DOI:10.1021/acs.joc.8b01094

upstream raw materials:

ortho-tolylmagnesium bromide

acetaldehyde

1-methyl-2-vinyl-benzene

methylmagnesium bromide

Downstream raw materials:

3,5-dinitro-benzoic acid-(1-o-tolyl-ethyl ester)

(S)-1-(2-Methylphenyl)ethanol

(R)-1-(2-methylphenyl)ethanol

2-Methylacetophenone

Refernces

• 1、 Humphries, Matthew E.,Pecak, Wiktoria H.,Hohenboken, Sallie A.,Alvarado, Samuel R.,Swenson, Dale C.,Domski, Gregory J.. "Ruthenium(II) supported by phosphine-functionalized N-heterocyclic carbene ligands as catalysts for the transfer hydrogenation of ketones". . p. 138 - 143. Retrieved 2013.
• 2、 Tran, Hai N.,Stanley, Levi M.. "Nickel-Catalyzed Enantioselective Hydroboration of Vinylarenes". supporting information. p. 395 - 399. Retrieved 2021/12/27.
• 3、 Alsalahi, W.,Trzeciak, A. M.,Tylus, W.. "Highly selective hydrogenation of aromatic ketones to alcohols in water: effect of PdO and ZrO2". . p. 10386 - 10393. Retrieved 2021/08/09.