3-(2-Carboxy-ethanesulfinyl)-propionic acid

Base Information

• Chemical Name: 3-(2-Carboxy-ethanesulfinyl)-propionic acid
• CAS No.: 3680-08-8
• Molecular Formula: C6H10O5S
• Molecular Weight: 194.208
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30385211
• Nikkaji Number: J32.961D
• Wikidata: Q82177851
• ChEMBL ID: CHEMBL509918
• Mol file: 3680-08-8.mol

Synonyms:3-(2-Carboxy-ethanesulfinyl)-propionic acid;3680-08-8;3-(2-carboxyethanesulfinyl)propanoic acid;3,3'-sulfinyldipropionic acid;3-(2-carboxyethylsulfinyl)propanoic acid;3,3'-sulfinyldipropanoic acid;CHEMBL509918;SCHEMBL11522528;DTXSID30385211;beta,beta'-sulfinyldipropionic acid;AKOS000670652;CCG-115199;PD166798;BB 0262224;CS-0234187;EN300-139473;Z1198160459

Chemical Property of 3-(2-Carboxy-ethanesulfinyl)-propionic acid

Chemical Property:

• Melting Point: 114 °C
• Boiling Point: 553.7±35.0 °C(Predicted)
• PKA: 3.69±0.10(Predicted)
• PSA: 110.88000
• Density: 1.537±0.06 g/cm3(Predicted)
• LogP: 0.55020
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 194.02489459
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

95% ^*data from raw suppliers

3-(2-Carboxy-ethanesulfinyl)-propionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CS(=O)CCC(=O)O)C(=O)O

Technology Process of 3-(2-Carboxy-ethanesulfinyl)-propionic acid

There total 2 articles about 3-(2-Carboxy-ethanesulfinyl)-propionic 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: 99.0%

4-thiaheptane-1,7-dioic acid (111-17-1) → 3,3'-sulfinyldipropionic acid (3680-08-8)

Guidance literature:

With dihydrogen peroxide; In neat (no solvent); at 20 ℃; for 0.0333333h; Reagent/catalyst;

DOI:10.1007/s10562-018-2379-3

Reference yield:

4-thiaheptane-1,7-dioic acid (111-17-1) → 3,3'-sulfinyldipropionic acid (3680-08-8)

Guidance literature:

at 20 ℃; Rate constant;

Reference yield: 94.0%

3,3'-sulfinyldipropionic acid (3680-08-8) → 4-thiaheptane-1,7-dioic acid (111-17-1)

Guidance literature:

With silica bromide; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1080/17415993.2013.801478

upstream raw materials:

4-thiaheptane-1,7-dioic acid

Downstream raw materials:

4-thiaheptane-1,7-dioic acid

disulfanediyldiacetic acid

3,3'-sulfonyldipropanoic acid

3-sulfopropanoic acid

Refernces

• 1、 Ghadermazi, Mohammad,Moeini, Nazanin,Molaei, Somayeh. "Synthesis and characterization of magnetic Fe3O4@Creatinine@Zr nanoparticles as novel catalyst for the synthesis of 5-substituted 1H-tetrazoles in water and the selective oxidation of sulfides with classical and ultrasonic methods". . . Retrieved 2021/12/03.
• 2、 Yarmohammadi, Nasrin,Ghadermazi, Mohammad,Mozafari, Roya. "Copper based on diaminonaphthalene-coated magnetic nanoparticles as robust catalysts for catalytic oxidation reactions and C-S cross-coupling reactions". . p. 9366 - 9380. Retrieved 2021/03/16.