5-sulfanylpentanoic Acid

Base Information

• Chemical Name: 5-sulfanylpentanoic Acid
• CAS No.: 30247-98-4
• Molecular Formula: C5H10O2S
• Molecular Weight: 134.199
• European Community (EC) Number: 843-781-0
• UNII: VPX7SE7TKE
• DSSTox Substance ID: DTXSID90447945
• Nikkaji Number: J1.249.032A
• Wikidata: Q82266844
• ChEMBL ID: CHEMBL294565
• Mol file: 30247-98-4.mol

Synonyms:5-sulfanylpentanoic Acid;30247-98-4;5-Mercaptopentanoic Acid;Pentanoic acid, 5-mercapto-;5-mercaptovaleric acid;5-Mercapto-pentanoic acid;5-Sulfanylvaleric acid;VPX7SE7TKE;CHEMBL294565;MFCD14642001;5-sulfanylpentanoicAcid;UNII-VPX7SE7TKE;D0Z0UQ;SCHEMBL204062;LCZC2347;DTXSID90447945;GCIZMJUHGHGRNW-UHFFFAOYSA-N;BDBM50127619;AKOS010615958;PD182619;SY141369;E79459;EN300-109049;Z808230828

Chemical Property of 5-sulfanylpentanoic Acid

Chemical Property:

• Boiling Point: 265.453 °C at 760 mmHg
• Flash Point: 114.342 °C
• Density: 1.121 g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.04015073
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCS)CC(=O)O
• Use Description: Pentanoic acid, 5-mercapto-, is a versatile chemical compound with diverse applications in various fields. In organic synthesis and materials science, it serves as a valuable building block for creating specialized molecules and polymers, contributing to the development of innovative materials used in coatings, adhesives, and sensors, enhancing material properties and functionality. In analytical chemistry, it functions as a reagent for the precise detection and quantification of specific ions or molecules, aiding in accurate chemical analysis and identification. Additionally, in the realm of chemical research, it serves as a model compound for studying the behavior of thiol derivatives, advancing our understanding of organic chemistry and reaction mechanisms. Its applications in materials science, analytical chemistry, and chemical research highlight its importance in driving material innovation, supporting precise analysis, and expanding our knowledge of chemical processes within these diverse domains.

Technology Process of 5-sulfanylpentanoic Acid

There total 15 articles about 5-sulfanylpentanoic 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: 94.0%

5-bromopentanoic acid (2067-33-6) → 5-mercaptopentanoic acid (30247-98-4)

Guidance literature:

5-bromopentanoic acid; With thiourea; In ethanol; at 80 ℃; for 20h;

With sodium hydroxide; at 90 ℃; for 16h;

DOI:10.1002/anie.202001123

Reference yield: 92.0%

pent-4-enoic acid (591-80-0) → 5-mercaptopentanoic acid (30247-98-4)

Guidance literature:

With trifluoroacetic acid; tiolacetic acid; In chloroform; at 66 ℃; for 2h;

DOI:10.1002/chem.202002542

Reference yield: 67.0%

5-tritylsulfanylpentanoic acid (532392-51-1) → 5-mercaptopentanoic acid (30247-98-4)

Guidance literature:

With trisopropylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/jm020515w

upstream raw materials:

5-(acetylthio)pentanoic acid

2-(3-mercaptopropyl)malonic acid

5-ethoxythiocarbonylmercapto-valeric acid

5-bromopentanoic acid

Downstream raw materials:

5-(2,4-dinitro-phenyldisulfanyl)-valeric acid

5-(2-iodo-9-isopropyl-9H-purin-6-yl-sulfanyl)-pentanoic acid

17-Hydroxy-6-thia-heptadecanoic acid

6,9-dithia-tetradecanedioic acid dimethyl ester

Refernces

• 1、 Jessing, Mikkel,Brandt, Malene,Jensen, Knud J.,Christensen, Jorn B.,Boas, Ulrik. "Thiophene backbone amide linkers, a new class of easily prepared and highly acid-labile linkers for solid-phase synthesis". . p. 6734 - 6741. Retrieved 2006.
• 2、 McCourt, Ruairí O.,Scanlan, Eoin M.. "Atmospheric Oxygen Mediated Radical Hydrothiolation of Alkenes". supporting information. p. 15804 - 15810. Retrieved 2020/10/26.
• 3、 Vurgun, Nesrin,G?mez-Biagi, Rodolfo F.,Nitz, Mark. "Access to Versatile β-Cyclodextrin Scaffolds through Guest-Mediated Monoacylation". supporting information. p. 1062 - 1069. Retrieved 2016/01/16.