(Methylthio)acetic acid

Base Information

• Chemical Name: (Methylthio)acetic acid
• CAS No.: 2444-37-3
• Molecular Formula: C3H6O2S
• Molecular Weight: 106.145
• Hs Code.: 29309090
• European Community (EC) Number: 219-483-6
• NSC Number: 263480
• UNII: UMV7E1UCUX
• DSSTox Substance ID: DTXSID10179195
• Nikkaji Number: J135.765D
• Wikidata: Q27104596
• Metabolomics Workbench ID: 52468
• Mol file: 2444-37-3.mol

Synonyms:(methylsulfanyl)acetic acid;(methylthio)acetic acid;acetic acid, 2-(methylthio)-

Chemical Property of (Methylthio)acetic acid

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0.0307mmHg at 25°C
• Melting Point: 13-14 °C(lit.)
• Refractive Index: n20/D 1.495(lit.)
• Boiling Point: 225.9 °C at 760 mmHg
• PKA: 3.66(at 25℃)
• Flash Point: 90.4 °C
• PSA: 62.60000
• Density: 1.224 g/cm³
• LogP: 0.43400
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Stench
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 106.00885060
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

99% ^*data from raw suppliers

(Methylthio)acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSCC(=O)O
• Uses: (Methylthio)acetic acid may be used in the synthesis of (5S,6S,8S)-8-acetoxy-6-(3,4-methylenedioxyphenyl)-1-[(methylthio)-acetyl]-1-azaspiro[4.4]nonane.

Technology Process of (Methylthio)acetic acid

There total 29 articles about (Methylthio)acetic 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: 96.0%

methylthioacetonitrile (35120-10-6) → methylsulfanyl-acetic acid (2444-37-3)

Guidance literature:

enzyme from Synechocystis sp. PCC 6803; In phosphate buffer; at 30 ℃; for 12h; pH=7.2;

DOI:10.1002/ejoc.200600699

Reference yield: 92.2%

mercaptoacetic acid (68-11-1) + methyl iodide (74-88-4) → methylsulfanyl-acetic acid (2444-37-3)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 48h;

DOI:10.1016/j.ejmech.2017.10.062

Reference yield:

methylthioacetic acid ethyl ester (4455-13-4) → methylsulfanyl-acetic acid (2444-37-3)

Guidance literature:

methylthioacetic acid ethyl ester; With potassium hydroxide; In water; at 20 ℃; for 16h;

With hydrogenchloride; In water; at 0 ℃; pH=7;

DOI:10.1016/j.tet.2011.05.043

upstream raw materials:

potassium methyl sulfate

mercaptoacetic acid

dimethyl sulfate

methyl iodide

Downstream raw materials:

(2S,3S)-3-hydroxy-2-(methylthio)-3-phenylpropionic acid methyl ester

(2R,3R)-3-hydroxy-2-(methylthio)-3-phenylpropionic acid methyl ester

C₅₆H₆₉NO₁₅SSi

dimethylsulfonioacetate

Refernces

• 1、 -. "HETEROCYCLIC AMIDE COMPOUND". Paragraph 0243. . Retrieved 2020/10/31.
• 2、 -. "HETEROCYCLIC AMIDO COMPOUND". Paragraph 0211. . Retrieved 2018/06/28.