2-(2-Chlorophenyl)-2-methylpropanal

Base Information

• Chemical Name: 2-(2-Chlorophenyl)-2-methylpropanal
• CAS No.: 484001-11-8
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.64674
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID40475950
• Wikidata: Q82306788
• Mol file: 484001-11-8.mol

Synonyms:2-(2-Chlorophenyl)-2-methylpropanal;484001-11-8;SCHEMBL5276758;DTXSID40475950;BCP31692;AKOS015999932;SB40432;AM806592;CS-0272886;EN300-1141609;A871922

Chemical Property of 2-(2-Chlorophenyl)-2-methylpropanal

Chemical Property:

• PSA: 17.07000
• LogP: 2.81650
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

2-(2-CHLOROPHENYL)-2-METHYLPROPANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C=O)C1=CC=CC=C1Cl

Technology Process of 2-(2-Chlorophenyl)-2-methylpropanal

There total 1 articles about 2-(2-Chlorophenyl)-2-methylpropanal 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: 100.0%

2-(2-chlorophenyl)-2-methylpropanenitrile (69849-08-7) → 2-(2-Chlorophenyl)-2-methylpropanal (484001-11-8)

Guidance literature:

2-(2-chlorophenyl)-2-methylpropanenitrile; With diisobutylaluminium hydride; In toluene; at -70 ℃; for 2.5h;

With L-Tartaric acid; In water; isopropyl alcohol; toluene; at 20 ℃; for 1h;

Reference yield: 56.0%

methyl 4-iodobenzoate (619-44-3) + 2-(2-Chlorophenyl)-2-methylpropanal (484001-11-8) → methyl 4-(2-(2-chlorophenyl)-2-methyl-3-oxopropyl)benzoate

Guidance literature:

With palladium diacetate; silver trifluoroacetate; D,L-valine; In acetic acid; at 125 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.9b02650

Reference yield: 55.0%

isopropyllithium (1888-75-1) + 2-(2-Chlorophenyl)-2-methylpropanal (484001-11-8) → 2-(2-Chlorophenyl)-2,4-dimethylpentan-3-ol (484001-12-9)

Guidance literature:

In pentane; for 1h; Heating;

DOI:10.1002/1522-2675(200207)85:7<2089::AID-HLCA2089>3.0.CO;2-0

upstream raw materials:

2-(2-chlorophenyl)-2-methylpropanenitrile

Downstream raw materials:

2-(2-Chlorophenyl)-2,4-dimethylpentan-3-ol

C₁₃H₁₃⁽²⁾H₆ClO