Benzenepropanoic acid, beta,beta'-dithiobis-

Base Information

• Chemical Name: Benzenepropanoic acid, beta,beta'-dithiobis-
• CAS No.: 63684-32-2
• Molecular Formula: C18H18 O4 S2
• Molecular Weight: 362.471
• European Community (EC) Number: 264-412-4
• DSSTox Substance ID: DTXSID60867030
• Nikkaji Number: J138.312D
• Mol file: 63684-32-2.mol

Synonyms:63684-32-2;Benzenepropanoic acid, beta,beta'-dithiobis-;3-[(2-carboxy-1-phenylethyl)disulfanyl]-3-phenylpropanoic acid;3,3'-Dithiobis(3-phenylpropionic) acid;beta,beta'-Dithiobis(dihydrocinnamic acid);EINECS 264-412-4;beta,beta'-Dithiobis(hydrocinnamic acid);Benzenepropanoic acid, .beta.,.beta.'-dithiobis-;DTXSID60867030;beta,beta'-Dithiobishydrocinnamic acid;.beta.,.beta.'-Dithiobis(hydrocinnamic acid);EN300-37405678;Z6276372430

Chemical Property of Benzenepropanoic acid, beta,beta'-dithiobis-

Chemical Property:

• Melting Point: 145℃
• Boiling Point: 541.1 °C at 760 mmHg
• Flash Point: 281 °C
• PSA: 125.20000
• Density: 1.354 g/cm³
• LogP: 4.52040
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 362.06465140
• Heavy Atom Count: 24
• Complexity: 366

Purity/Quality:

99.9% ^*data from raw suppliers

3,3'-DITHIOBISHYDROCINNAMIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)SSC(CC(=O)O)C2=CC=CC=C2

Technology Process of Benzenepropanoic acid, beta,beta'-dithiobis-

There total 5 articles about Benzenepropanoic acid, beta,beta'-dithiobis- 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: 94.0%

3-sulfydryl-3-phenylpropionic acid (7328-39-4) → β,β'-dithiobis(dihydrocinnamic acid) (63684-32-2)

Guidance literature:

With dihydrogen peroxide; iodine; sodium hydroxide; In water; at 5 ℃; for 1h; Reagent/catalyst; Temperature;

Reference yield:

3-phenyl-3-thioxo-propionic acid (4438-94-2) → β,β'-dithiobis(dihydrocinnamic acid) (63684-32-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium amalgam

2: iron chloride; water

With sodium amalgam; water; iron(III) chloride;

Reference yield:

β-carbamimidoylmercapto-cinnamic acid → β,β'-dithiobis(dihydrocinnamic acid) (63684-32-2)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOH-solution

2: sodium amalgam

3: iron chloride; water

With sodium hydroxide; sodium amalgam; water; iron(III) chloride;

upstream raw materials:

3-sulfydryl-3-phenylpropionic acid

water

iron(III) chloride

3-phenyl-3-thioxo-propionic acid

Refernces