3,3'-(Methylenebis(thio))bispropionic acid

Base Information

• Chemical Name: 3,3'-(Methylenebis(thio))bispropionic acid
• CAS No.: 4265-57-0
• Molecular Formula: C7H12 O4 S2
• Molecular Weight: 224.302
• Hs Code.: 2930909090
• European Community (EC) Number: 224-251-2
• DSSTox Substance ID: DTXSID60195380
• Nikkaji Number: J205.675E
• Wikidata: Q83068288
• Mol file: 4265-57-0.mol

Synonyms:4265-57-0;METHYLENEBIS(3-MERCAPTOPROPIONIC ACID);3,3'-(Methylenebis(thio))bispropionic acid;3-(2-carboxyethylsulfanylmethylsulfanyl)propanoic acid;3-({[(2-carboxyethyl)sulfanyl]methyl}sulfanyl)propanoic acid;Methylenebis(3-thiopropionic acid);EINECS 224-251-2;3-({[(2-carboxyethyl)thio]methyl}thio)propanoic acid;3,3'-[methylenebis(thio)]bispropionic acid;Propanoic acid, 3,3'-(methylenebis(thio))bis-;Propanoic acid, 3,3'-[methylenebis(thio)]bis-;Maybridge1_007403;SCHEMBL6003905;HMS562I11;DTXSID60195380;C7-H12-O4-S2;CCG-52403;MFCD00020522;AKOS024319299;3,3'-Methylenebisthiobispropanoic acid;FT-0628877;METHYLENEBIS(3-MERCAPTOPROPIONICACID);3,3'-methylenebis(sulfanediyl)dipropanoic acid;beta, beta'-(Methylenedithio)-dipropionic acid;SR-01000641642-1

Chemical Property of 3,3'-(Methylenebis(thio))bispropionic acid

Chemical Property:

• Melting Point: 138oC
• Boiling Point: 466.5°Cat760mmHg
• Flash Point: 235.9°C
• PSA: 125.20000
• Density: 1.39g/cm³
• LogP: 1.35970
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 224.01770121
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

98%Min ^*data from raw suppliers

S,S'-METHYLENEBIS(3-MERCAPTOPROPIONIC ACID) Aldrich ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CSCSCCC(=O)O)C(=O)O

Technology Process of 3,3'-(Methylenebis(thio))bispropionic acid

There total 4 articles about 3,3'-(Methylenebis(thio))bispropionic 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:

→ 4,6-dithia-nonanedioic acid (4265-57-0)

Guidance literature:

With water; sodium thiosulfate; Kochen der Reaktionsloesung mit 10 Mol Formaldehyd und verd.HCl;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-mercaptopropionic acid (107-96-0) → 4,6-dithia-nonanedioic acid (4265-57-0)

Guidance literature:

With hydrogenchloride;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Methyl 3-mercaptopropionate (2935-90-2) → 4,6-dithia-nonanedioic acid (4265-57-0)

Guidance literature:

Multistep reaction; (i) HCl, (ii) (saponification);

DOI:10.1021/jo01048a053

upstream raw materials:

formaldehyd

3-mercaptopropionic acid

Methyl 3-mercaptopropionate

Downstream raw materials:

Methylen-bis-<β-mercapto-propionsaeure-anilid>