2-Chloro-2-methylpropanoic acid

Base Information

• Chemical Name: 2-Chloro-2-methylpropanoic acid
• CAS No.: 594-58-1
• Molecular Formula: C4H7 Cl O2
• Molecular Weight: 122.551
• Hs Code.: 2915900090
• European Community (EC) Number: 209-846-7
• UNII: VA5DA6ETV5
• DSSTox Substance ID: DTXSID00208125
• Nikkaji Number: J470G
• Wikidata: Q83082218
• Mol file: 594-58-1.mol

Synonyms:2-chloro-2-methylpropanoic acid;2-chloro-2-methylpropanoic ester

Chemical Property of 2-Chloro-2-methylpropanoic acid

Chemical Property:

• Melting Point: 31°C
• Refractive Index: 1.4500
• Boiling Point: 193°Cat760mmHg
• PKA: pK1: 2.975 (25°C)
• Flash Point: 70.5°C
• PSA: 37.30000
• Density: 1.217g/cm³
• LogP: 1.08840
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.0134572
• Heavy Atom Count: 7
• Complexity: 87.7

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-2-methylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)Cl
• Uses: 2-Chloro-2-methylpropanoic Acid is used in preparation of substituted Thiophenyluracils and Salts as herbicidal agents.

Technology Process of 2-Chloro-2-methylpropanoic acid

There total 28 articles about 2-Chloro-2-methylpropanoic 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: 64.0%

tetrachloromethane (56-23-5) + isobutyric Acid (79-31-2) → tetramethyl succinic acid (630-51-3) + chloroform (67-66-3,8013-54-5) + 2-chloro-2-methylpropanoic acid (594-58-1)

Guidance literature:

isobutyric Acid; With lithium diisopropyl amide; In tetrahydrofuran; at 0 - 40 ℃; Inert atmosphere;

tetrachloromethane; In tetrahydrofuran; at 20 - 25 ℃; for 2h; Inert atmosphere;

DOI:10.1134/S1070428019010068

Reference yield: 63.0%

tetrachloromethane (56-23-5) + isobutyric Acid (79-31-2) → chloroform (67-66-3,8013-54-5) + 2-chloro-2-methylpropanoic acid (594-58-1)

Guidance literature:

isobutyric Acid; With lithium diisopropyl amide; In tetrahydrofuran; at 0 - 40 ℃; Inert atmosphere;

tetrachloromethane; In tetrahydrofuran; at 20 - 25 ℃; for 2h; Inert atmosphere;

DOI:10.1134/S1070428019010068

Reference yield: 59.0%

isobutyric Acid (79-31-2) → tetramethyl succinic acid (630-51-3) + 2-chloro-2-methylpropanoic acid (594-58-1)

Guidance literature:

isobutyric Acid; With lithium diisopropyl amide; In tetrahydrofuran; at 0 - 40 ℃; Inert atmosphere;

With N-chlorodiethylamine; In tetrahydrofuran; at 20 - 25 ℃; for 2h; Inert atmosphere;

DOI:10.1134/S1070363216110116

upstream raw materials:

2-chloro-2-methyl-1-propanol

2-chloroisobutyryl chloride

4-chloro-4-methylpent-2-yne

acetic acid

Downstream raw materials:

methyl 2-chloroisobutyrate

acido 2-metil-2-cicloesilossipropionico

poly(methacrylic acid)

2-methyllactic acid

Refernces

• 1、 Zorin,Zaynashev,Zorin. "Reaction of Lithium Acylate α-Carbanions with Carbon Tetrachloride". . p. 42 - 46. Retrieved 2019/04/27.
• 2、 -. "METHOD FOR PRODUCING UNSATURATED ACID AND/OR UNSATURATED ACID ESTER". Paragraph 0073-0074. . Retrieved 2015/07/02.