2-(2,4-Dichlorophenyl)butanoic acid

Base Information

• Chemical Name: 2-(2,4-Dichlorophenyl)butanoic acid
• CAS No.: 74684-38-1
• Molecular Formula: C16H24 O2
• Molecular Weight: 248.365
• DSSTox Substance ID: DTXSID70703359
• Mol file: 74684-38-1.mol

Synonyms:2-(2,4-dichlorophenyl)butanoic acid;2012-76-2;2,4-dichloro-alpha-ethyl-benzeneacetic acid;Benzaldehyde,3,5-bis(1,1-dimethylethyl)-4-methoxy-;SCHEMBL4778923;DTXSID70703359;GKCKCMYMXYMOPA-UHFFFAOYSA-N;2,4-dichloro-alpha-ethyl-benzeneaceticacid;EN300-1138686;A838194

Chemical Property of 2-(2,4-Dichlorophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.563
• Boiling Point: 352.011°C at 760 mmHg
• Flash Point: 166.69°C
• PSA: 37.30000
• Density: 1.341g/cm³
• LogP: 3.40070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.0057849
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

3,5-Di-tert-butyl-4-methoxybenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=C(C=C(C=C1)Cl)Cl)C(=O)O

Technology Process of 2-(2,4-Dichlorophenyl)butanoic acid

There total 11 articles about 2-(2,4-Dichlorophenyl)butanoic acid 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: 87.0%

methyl iodide (74-88-4) + 3,5-di-t-butyl-4-hydroxybenzaldehyde (1620-98-0) → 2-(3-(tert-butyl)-5-formylphenyl)-2-methylpropanenitrile (74684-38-1)

Guidance literature:

3,5-di-t-butyl-4-hydroxybenzaldehyde; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; for 12h; Reflux;

Reference yield: 86.0%

4-bromo-2,6-di-tert-butylanisole (1516-96-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-(3-(tert-butyl)-5-formylphenyl)-2-methylpropanenitrile (74684-38-1)

Guidance literature:

4-bromo-2,6-di-tert-butylanisole; With n-butyllithium; In diethyl ether; hexane; at 0 ℃; for 1.25h; Inert atmosphere; Schlenk technique;

N,N-dimethyl-formamide; In diethyl ether; hexane; at 0 - 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.202000336

Reference yield: 82.0%

C16H24Br2O (1262766-27-7) → 2-(3-(tert-butyl)-5-formylphenyl)-2-methylpropanenitrile (74684-38-1)

Guidance literature:

With water; potassium carbonate; Reflux;

DOI:10.1016/j.bmc.2010.11.018

upstream raw materials:

methyl iodide

3,5-di-t-butyl-4-hydroxybenzaldehyde

3,5-di-tert-butyl-4-hydroxybenzyl alcohol

2,6-di-tert-butyl-4-methyl-phenol

Downstream raw materials:

Tetrakis(3,5-di-tert-butyl-4-methoxyphenyl)porphyrin

(Z)-5-(3,5-di-tert-butyl-4-methoxybenzylidene)-2-thioxothiazolidin-4-one

(3,5-di-tert-butyl-4-methoxyphenyl)methanol

diethyl β-(3,5-di-tert-butyl-4-methoxyphenyl)-β-[N-(3-pyridyl)-amino]-ethylphosphonate

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