2,5-Dimethyl-3-thiaadipic Acid

Base Information

• Chemical Name: 2,5-Dimethyl-3-thiaadipic Acid
• CAS No.: 106014-16-8
• Molecular Formula: C7H12O4S
• Molecular Weight: 192.236
• DSSTox Substance ID: DTXSID501245109
• Mol file: 106014-16-8.mol

Synonyms:2,5-Dimethyl-3-thiaadipic Acid;106014-16-8;3-(1-Carboxyethylsulfanyl)-2-methylpropanoic acid;SCHEMBL10504968;DTXSID501245109;AKOS014246249;3-[(1-Carboxyethyl)thio]-2-methylpropanoic acid;3-[(1-carboxyethyl)sulfanyl]-2-methylpropanoic acid

Chemical Property of 2,5-Dimethyl-3-thiaadipic Acid

Chemical Property:

• Melting Point: 75-79°C
• PSA: 99.90000
• LogP: 0.91340
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 192.04563003
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

98% ^*data from raw suppliers

2,5-Dimethyl-3-thiaadipicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CSC(C)C(=O)O)C(=O)O
• Uses: 2,5-DiMethyl-3-thiaadipic Acid can be used in the preparation of herbicides.

Technology Process of 2,5-Dimethyl-3-thiaadipic Acid

There total 3 articles about 2,5-Dimethyl-3-thiaadipic 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: 93.0%

2-methyl-3-sulfanylpropanoic acid (26473-47-2) + (R,S)-2-chloropropionic acid (598-78-7) → 2,5-dimethyl-3-thia-adipic acid (106014-16-8)

Guidance literature:

2-methyl-3-sulfanylpropanoic acid; With sodium hydroxide; In water; at 20 ℃; for 0.166667h;

(R,S)-2-chloropropionic acid; In water; for 2.5h;

Reference yield: 93.0%

poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) + 2-mercaptopropanoic acid (79-42-5) → 2,5-dimethyl-3-thia-adipic acid (106014-16-8)

Guidance literature:

poly(methacrylic acid); 2-mercaptopropanoic acid; With sodium hydroxide; In water; at 25 - 104 ℃; for 6h;

With hydrogenchloride; In water; at 35 - 40 ℃;

Reference yield:

3-(acetylthio)-2-methylpropanoic acid (33325-40-5) + 2-Bromopropionic acid (598-72-1,10327-08-9) → 2,5-dimethyl-3-thia-adipic acid (106014-16-8)

Guidance literature:

With alkali;

upstream raw materials:

3-(acetylthio)-2-methylpropanoic acid

2-Bromopropionic acid

2-methyl-3-sulfanylpropanoic acid

(R,S)-2-chloropropionic acid

Downstream raw materials:

2,4-dimethyl-3-amino-thiophene

dimethenamid

Refernces

• 1、 -. "Method for preparing 2,4-dimethyltetrahydrothiophene-3-one". Paragraph 0034; 0035. . Retrieved 2017/07/21.