2,2-dichloropentanoic Acid

Base Information

• Chemical Name: 2,2-dichloropentanoic Acid
• CAS No.: 18240-68-1
• Molecular Formula: C5H8 Cl2 O2
• Molecular Weight: 185.05
• Hs Code.: 29159000
• DSSTox Substance ID: DTXSID30369177
• Nikkaji Number: J125.374C
• Wikidata: Q82156220
• Mol file: 18240-68-1.mol

Synonyms:2,2-dichloropentanoic Acid;18240-68-1;Pentanoic acid, 2,2-dichloro-;2,2-Dichlorovaleric acid;SCHEMBL511229;DTXSID30369177;AKOS006228861;J-640325

Chemical Property of 2,2-dichloropentanoic Acid

Chemical Property:

• Vapor Pressure: 0.018mmHg at 25°C
• Refractive Index: 1.459-1.461
• Boiling Point: 234.8°Cat760mmHg
• Flash Point: 95.8°C
• PSA: 37.30000
• Density: g/cm³
• LogP: 2.04500
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 169.9901349
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-DICHLOROPENTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(=O)O)(Cl)Cl

Technology Process of 2,2-dichloropentanoic Acid

There total 7 articles about 2,2-dichloropentanoic 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%

2,2-dichloropentanal (41718-50-7) → 2,2-dichloropentanoic acid (18240-68-1)

Guidance literature:

With nitric acid; sodium nitrite; In dichloromethane; at 20 ℃; for 192h;

DOI:10.1081/SCC-120030698

Reference yield:

methyl 2,2-dichloropentanoate (19784-46-4) → 2,2-dichloropentanoic acid (18240-68-1)

Guidance literature:

With lithium hydroxide; In water; isopropyl alcohol; at -7 ℃; for 0.25h;

DOI:10.1016/S0040-4020(97)00908-3

Reference yield:

pentanal (110-62-3) → 2,2-dichloropentanoic acid (18240-68-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / 2-picoline hydrochloride; Cl₂; HCl / CHCl₃ / 0.5 h / 60 - 65 °C

2: 82 percent / 2-picoline hydrochloride; Cl₂; HCl / CHCl₃ / 24 h / 65 - 70 °C

With hydrogenchloride; picoline hydrochloride; chlorine; In chloroform; 1: Chlorination / 2: Oxidation;

upstream raw materials:

1,1,2,2-Tetrachlor-1-trichlorphosphoranylidenamino-pentan

2,2-dichloropentanal

methyl 2,2-dichloropentanoate

Dimethyl-1-oxopentanphosphonat

Downstream raw materials:

p-methoxyphenyl 2,2-dichloropentanoate

2,2-Dichloro-pentanoic acid allyl-benzyl-amide