Benzeneacetaldehyde, 2-methyl-

Base Information

• Chemical Name: Benzeneacetaldehyde, 2-methyl-
• CAS No.: 10166-08-2
• Molecular Formula: C9H10 O
• Molecular Weight: 134.178
• Hs Code.: 2912299000
• European Community (EC) Number: 631-324-6
• DSSTox Substance ID: DTXSID8064981
• Nikkaji Number: J414.434A
• Wikidata: Q81991886
• Mol file: 10166-08-2.mol

Synonyms:10166-08-2;(2-Methylphenyl)acetaldehyde;Benzeneacetaldehyde, 2-methyl-;2-(2-methylphenyl)acetaldehyde;2-(2-Methylphenyl)ethanal;Benzeneacetaldehyde, 2-methyl- (9CI);m-Methylphenylacetaldehyde;2-(o-Tolyl)acetaldehyde;Benzeneacetaldehyde,2-methyl-;69380-02-5;O-Tolyl-Acetaldehyde;2-O-TOLYLACETALDEHYDE;o-Tolylacetaldehyd;o-Tolylacetaldehyde;2-Methylbenzeneacetaldehyde;SCHEMBL168282;DTXSID8064981;MFCD02261772;AKOS011896924;AB11813;CS-0038162;EN300-171194;W16821;Z993017618

Chemical Property of Benzeneacetaldehyde, 2-methyl-

Chemical Property:

• Vapor Pressure: 0.0994mmHg at 25°C
• Refractive Index: 1.5255 (estimate)
• Boiling Point: 222.8°Cat760mmHg
• Flash Point: 104.6°C
• PSA: 17.07000
• Density: 0.987g/cm³
• LogP: 1.73640
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 109

Purity/Quality:

98%,99%, ^*data from raw suppliers

O-Tolylacetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC=O

Technology Process of Benzeneacetaldehyde, 2-methyl-

There total 31 articles about Benzeneacetaldehyde, 2-methyl- 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: 85.0%

1-ethynyl-2-methylbenzene (766-47-2) → 2-methyl-benzeneacetaldehyde (10166-08-2)

Guidance literature:

With cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate; 5,5′-bis(trifluoromethyl)-2,2′-bipyridine; In 1-methyl-pyrrolidin-2-one; water; at 25 ℃; for 8h; Inert atmosphere; Autoclave;

DOI:10.1002/anie.201404320

Reference yield: 75.0%

2-methyl-benzyl alcohol (89-95-2) → 2-methyl-benzeneacetaldehyde (10166-08-2)

Guidance literature:

With C₂₀H₁₆CuN₄O; dihydrogen peroxide; at 80 ℃; for 3h;

DOI:10.1016/j.poly.2019.01.002

Reference yield: 70.0%

C16H28O2Si → 2-methyl-benzeneacetaldehyde (10166-08-2)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 30 ℃; for 4h;

DOI:10.1039/d0cc03580g

upstream raw materials:

1,1,2-triethoxyethane

2-o-tolylethanol

indan-2-ol

1-methyl-2-vinyl-benzene

Downstream raw materials:

(E)-3-methyl-3-(2-methylstyryl)dihydrofuran-2(3H)-one

3-methyl-3-(2-(o-tolyl)-2-(triethylsilylperoxy)ethyl)dihydrofuran-2(3H)-one

3-(1-hydroxy-2-(o-tolyl)ethyl)-3-methyldihydrofuran-2(3H)-one

2-oxo-2-(o-tolyl)-N,N'-di(p-tolyl)acetimidamide

Refernces

• 1、 Munday, Samuel D.,Dezvarei, Shaghayegh,Lau, Ian C.-K.,Bell, Stephen G.. "Examination of Selectivity in the Oxidation of ortho- and meta-Disubstituted Benzenes by CYP102A1 (P450 Bm3) Variants". . p. 2512 - 2522. Retrieved 2017.
• 2、 Pratihar, Jahar Lal,Mandal, Paritosh,Lai, Chung Kung,Chattopadhyay, Surajit. "Tetradentate amido azo Schiff base Cu(II), Ni(II) and Pd(II) complexes: Synthesis, characterization, spectral properties, and applications to catalysis in C–C coupling and oxidation reaction". . p. 317 - 324. Retrieved 2019.
• 3、 Sowa, Bernard,Rauw, Gillian,Davood, Asghar,Fassihi, Afshin,Knaus, Edward E.,Baker, Glen B.. "Design and biological evaluation of phenyl-substituted analogs of β-phenylethylidenehydrazine". . p. 4389 - 4395. Retrieved 2005.
• 4、 -. "Synthesis method of phenylacetaldehyde derivative". Paragraph 0041; 0046-0047; 0050. . Retrieved 2021/08/07.
• 5、 Marimuthu, Thashree,Alapour, Saba,Friedrich, Holger B.. "Microwave-Assisted oxidation reaction of primary alcohols with sensitive functional groups to aldehydes using Ruthenium Diphosphorus Complexes". . p. 120 - 135. Retrieved 2020/10/30.