Pentanoic acid, 5,5'-thiobis-

Base Information

• Chemical Name: Pentanoic acid, 5,5'-thiobis-
• CAS No.: 10341-17-0
• Molecular Formula: C10H18 O4 S
• Molecular Weight: 234.317
• NSC Number: 30540
• UNII: NQA535229D
• DSSTox Substance ID: DTXSID20145821
• Nikkaji Number: J802.912A
• Wikidata: Q83010478
• Mol file: 10341-17-0.mol

Synonyms:Thiodivaleric acid;5,5'-Thiodivaleric acid;Pentanoic acid, 5,5'-thiobis-;10341-17-0;Valeric acid, 5,5'-thiodi-;NQA535229D;NSC30540;NSC-30540;5,5'-sulfanediyldipentanoic acid;NSC 30540;Valeric acid,5'-thiodi-;Pentanoic acid,5'-thiobis-;UNII-NQA535229D;SCHEMBL2280524;DTXSID20145821;ACAYZXFEFNEADF-UHFFFAOYSA-N;5-(5-hydroxy-5-oxo-pentyl)sulfanylpentanoic acid

Chemical Property of Pentanoic acid, 5,5'-thiobis-

Chemical Property:

• Boiling Point: 435°Cat760mmHg
• Flash Point: 216.9°C
• Density: 1.19g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 234.09258022
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCSCCCCC(=O)O)CC(=O)O

Technology Process of Pentanoic acid, 5,5'-thiobis-

There total 1 articles about Pentanoic acid, 5,5'-thiobis- 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:

5-mercaptopentanoic acid (30247-98-4) + 5-bromopentanoic acid (2067-33-6) → 5,5'-thiodipentanoic acid (10341-17-0)

Guidance literature:

5-mercaptopentanoic acid; 5-bromopentanoic acid; With sodium hydroxide; at 50 ℃; Cooling with ice;

With hydrogenchloride; In water; pH=1;

DOI:10.1021/ac801625e

Reference yield:

ethanol (64-17-5) + 5,5'-thiodipentanoic acid (10341-17-0) → valeric acid (109-52-4)

Guidance literature:

DOI:10.1021/ja01246a005

Reference yield:

5,5'-thiodipentanoic acid (10341-17-0) → 5-[4-(4-tert-Butyl-phenoxycarbonyl)-butane-1-sulfinyl]-pentanoic acid 4-tert-butyl-phenyl ester (53136-00-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) SOCl₂, benzene, (ii) /BRN= 1817334/, Py

2: isopropylbenzene hydroperoxide / heptane

With Cumene hydroperoxide; In n-heptane;

upstream raw materials:

5-mercaptopentanoic acid

5-bromopentanoic acid

Downstream raw materials:

5-iodopentanoic acid

Bis-<4-carboxy-butyl>-sulfoxid

5-[4-(4-tert-Butyl-phenoxycarbonyl)-butylsulfanyl]-pentanoic acid 4-tert-butyl-phenyl ester

valeric acid