2-Methyl-2-phenylpropanal

Base Information

• Chemical Name: 2-Methyl-2-phenylpropanal
• CAS No.: 3805-10-5
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• European Community (EC) Number: 824-777-8
• NSC Number: 139130
• DSSTox Substance ID: DTXSID70300822
• Nikkaji Number: J846.655F
• Wikidata: Q82044193
• Mol file: 3805-10-5.mol

Synonyms:2-Methyl-2-phenylpropanal;3805-10-5;MFCD12031836;NSC139130;Phenyldimethylacetaldehyd;SCHEMBL43182;2-Methyl-2-phenylpropanal #;DTXSID70300822;2-methyl-2-phenyl-propionaldehyde;Benzeneacetaldehyde, a,a-dimethyl-;AKOS012321794;AT22663;NSC-139130;BS-13539;CS-0255771;Benzeneacetaldehyde, .alpha.,.alpha.-dimethyl-;EN300-117912;Z1079442604

Chemical Property of 2-Methyl-2-phenylpropanal

Chemical Property:

• Vapor Pressure: 0.117mmHg at 25°C
• Boiling Point: 219.8°Cat760mmHg
• Flash Point: 94.6°C
• Density: 0.965g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-2-phenylpropanal

There total 56 articles about 2-Methyl-2-phenylpropanal 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: 98.2%

diisobutylaluminum hydride (Dibal-H) + 2-methyl-2-phenylpropionitrile (1195-98-8) → 2,2-(dimethyl)-2-phenylacetaldehyde (3805-10-5)

Guidance literature:

With hydrogenchloride; In hexane; water;

Reference yield: 92.0%

2-bromo-2-methyl-1-phenylpropan-1-ol (83569-58-8) → 2,2-(dimethyl)-2-phenylacetaldehyde (3805-10-5)

Guidance literature:

With diethylzinc; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.08.134

Reference yield: 91.6%

2-methyl-2-phenyl-propan-1-ol (2173-69-5) → 2,2-(dimethyl)-2-phenylacetaldehyde (3805-10-5)

Guidance literature:

With sulfur trioxide pyridine complex; triethylamine; In dimethyl sulfoxide; at 20 ℃; for 2.5h;

upstream raw materials:

(2-methyl-1-propenyl)-benzene

2-methyl-2-phenyl-propan-1-ol

2-methyl-1-phenylpropane-1,2-diol

(β-oxy-α-methoxy-isobutyl)-benzene

Downstream raw materials:

4-methyl-4-phenyl-pent-2t-enoic acid

3-methyl-3-phenylbutan-2-ol

1,2-diphenyl-2-methylpropane-1-ol

2-methyl-2-phenylpropionic acid