3,3'-(Benzylidenedithio)dipropanoic acid

Base Information

• Chemical Name: 3,3'-(Benzylidenedithio)dipropanoic acid
• CAS No.: 1030-02-0
• Molecular Formula: C13H16 O4 S2
• Molecular Weight: 300.4
• Hs Code.: 2930909090
• European Community (EC) Number: 213-845-7
• DSSTox Substance ID: DTXSID3061421
• Nikkaji Number: J76.650J
• Wikidata: Q81989463
• Mol file: 1030-02-0.mol

Synonyms:1030-02-0;3,3'-(Benzylidenedithio)dipropanoic acid;3-[2-carboxyethylsulfanyl(phenyl)methyl]sulfanylpropanoic acid;Phenyl-di(carboxyethylthio)methane;3,3'-[(Phenylmethylene)bis(thio)]bispropionic acid;EINECS 213-845-7;propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-;3,3/'-[(phenylmethylene)bis(thio)]bispropionic acid;Propanoic acid, 3,3'-((phenylmethylene)bis(thio))bis-;3,3'-((Phenylmethylene)bis(thio))bispropionic acid;DTXSID3061421;C13H16O4S2;C13-H16-O4-S2

Chemical Property of 3,3'-(Benzylidenedithio)dipropanoic acid

Chemical Property:

• Boiling Point: 519.7°Cat760mmHg
• Flash Point: 268.1°C
• PSA: 125.20000
• Density: 1.348g/cm³
• LogP: 3.10100
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 300.04900133
• Heavy Atom Count: 19
• Complexity: 270

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(SCCC(=O)O)SCCC(=O)O

Technology Process of 3,3'-(Benzylidenedithio)dipropanoic acid

There total 3 articles about 3,3'-(Benzylidenedithio)dipropanoic 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:

sodium 3-chloroproanoate (16987-03-4) → 3,3'-benzylidenedimercapto-di-propionic acid (1030-02-0)

Guidance literature:

With hydrogenchloride; sodium thiosulfate; anschliessendes Kochen mit Benzaldehyd;

DOI:10.1021/ja01849a028

Reference yield:

benzaldehyde (100-52-7) + 3-mercaptopropionic acid (107-96-0) → 3,3'-benzylidenedimercapto-di-propionic acid (1030-02-0)

Guidance literature:

Reference yield:

→ 3,3'-benzylidenedimercapto-di-propionic acid (1030-02-0)

Guidance literature:

Benzaldehyd, 3-Mercaptopropionsaeure;

DOI:10.1016/0040-4020(75)80099-8

upstream raw materials:

sodium 3-chloroproanoate

benzaldehyde

3-mercaptopropionic acid

Downstream raw materials:

-benzol

-benzol

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