4-MERCAPTO-4-METHYLVALERIC ACID

Base Information

• Chemical Name: 4-MERCAPTO-4-METHYLVALERIC ACID
• CAS No.: 140231-31-8
• Molecular Formula: C6H12O2S
• Molecular Weight: 148.226
• Hs Code.: 2930909090
• Mol file: 140231-31-8.mol

Synonyms:4-Mercapto-4-methylpentanoic acid;4-Methyl-4-sulfanylpentanoic acid;

Chemical Property of 4-MERCAPTO-4-METHYLVALERIC ACID

Chemical Property:

• Boiling Point: 256.438 °C at 760 mmHg
• PKA: 4.60±0.10(Predicted)
• Flash Point: 108.89 °C
• PSA: 76.10000
• Density: 1.087 g/cm³
• LogP: 1.55960

Purity/Quality:

99%, ^*data from raw suppliers

4-mercapto-4-methylpentanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-MERCAPTO-4-METHYLVALERIC ACID

There total 4 articles about 4-MERCAPTO-4-METHYLVALERIC 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: 39.0%

4-mercapto-4-methylvaleronitrile (131237-84-8) → 4-mercapto-4-dimethylpentanoic acid (140231-31-8)

Guidance literature:

With sodium hydroxide; In ethanol; water; Heating / reflux;

Reference yield: 39.0%

2,2-dimethylthiirane (3772-13-2) + carbon dioxide (124-38-9,18923-20-1) → 4-mercapto-4-dimethylpentanoic acid (140231-31-8)

Guidance literature:

With sodium hydroxide; n-butyllithium; sodium sulfate; In tetrahydrofuran; hydrogenchloride; ethanol; water; ethyl acetate; acetonitrile;

Reference yield:

thiourea (17356-08-0) + methyl 4-hydroxy-4-methylpentanoate (89795-03-9,7210-38-0) → 4-mercapto-4-dimethylpentanoic acid (140231-31-8)

Guidance literature:

thiourea; methyl 4-hydroxy-4-methylpentanoate; With hydrogenchloride; In water; for 24h; Reflux;

With water; lithium hydroxide; In methanol; Reflux;

upstream raw materials:

4-mercapto-4-methylvaleronitrile

2,2-dimethylthiirane

carbon dioxide

thiourea

Downstream raw materials:

4-(2-pyridinedisulfide)-4-methylvaleric acid succinimide ester

C₅₂H₄₉ClN₅O₇PS₂

N^2'-deacetyl-N^2'-[4-methyl-4-(methyldithio)-1-oxopentyl]maytansine

N^2′-deacetyl-N^2′-(4-mercapto-4-methyl-1-oxopentyl)maytansine

Refernces

• 1、 -. "NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF". Paragraph 0307. . Retrieved 2017/12/18.
• 2、 -. "Cytotoxic agents comprising new maytansinoids". Page 23-24. . Retrieved 2008/06/13.