Benzeneacetaldehyde, 2,4-dimethyl-

Base Information

• Chemical Name: Benzeneacetaldehyde, 2,4-dimethyl-
• CAS No.: 68083-55-6
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• European Community (EC) Number: 268-404-1
• DSSTox Substance ID: DTXSID3071064
• Nikkaji Number: J289.015A
• Wikidata: Q81998564
• Mol file: 68083-55-6.mol

Synonyms:Benzeneacetaldehyde, 2,4-dimethyl-;68083-55-6;2-(2,4-dimethylphenyl)acetaldehyde;(2,4-dimethylphenyl)acetaldehyde;2,4-Dimethylphenylacetaldehyde;EINECS 268-404-1;2,4-Dimethylbenzeneacetaldehyde;SCHEMBL2561411;DTXSID3071064;AKOS012096269;CS-0247296;(2,4-Dimethylphenyl)acetaldehyde, AldrichCPR;EN300-363277;Z1020787114

Chemical Property of Benzeneacetaldehyde, 2,4-dimethyl-

Chemical Property:

• Vapor Pressure: 0.0336mmHg at 25°C
• Boiling Point: 242.6°Cat760mmHg
• Flash Point: 115.3°C
• PSA: 17.07000
• Density: 0.974g/cm³
• LogP: 2.04480
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

(2,4-Dimethylphenyl)acetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)CC=O)C

Technology Process of Benzeneacetaldehyde, 2,4-dimethyl-

There total 12 articles about Benzeneacetaldehyde, 2,4-dimethyl- 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: 79.0%

2,4-dimethylstyrene (2234-20-0) → (2,4-dimethyl-phenyl)-acetaldehyde (68083-55-6)

Guidance literature:

2,4-dimethylstyrene; With ammonium iodide; water; sodium dodecyl-sulfate; for 0.5h;

With Oxone; at 20 ℃; for 0.66h; regioselective reaction;

DOI:10.1002/adsc.201400986

Reference yield:

(E)-1-(2,4-dimethylphenyl)-2-trimethylsilyloxirane (193277-20-2) → (2,4-dimethyl-phenyl)-acetaldehyde (68083-55-6)

Guidance literature:

With trifluoroacetic acid;

DOI:10.1002/anie.199713131

Reference yield:

(E)-1-(2,4-dimethylphenyl)-2-triethylsilyloxirane → (2,4-dimethyl-phenyl)-acetaldehyde (68083-55-6)

Guidance literature:

With water; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1246/bcsj.72.1445

upstream raw materials:

3-(2,4-dimethyl-phenyl)-2,3-epoxy-propionic acid ethyl ester

(E)-1-(2,4-dimethylphenyl)-2-trimethylsilyloxirane

orthoformic acid triethyl ester

1,1,2-triethoxyethane

Downstream raw materials:

2-(2,4-dimethylphenyl)ethanol