6-Oxo-6-(2-thienyl)hexanoic acid

Base Information

• Chemical Name: 6-Oxo-6-(2-thienyl)hexanoic acid
• CAS No.: 56721-43-8
• Molecular Formula: C10H12O3S
• Molecular Weight: 212.27
• DSSTox Substance ID: DTXSID60364877
• Wikidata: Q82149065
• Mol file: 56721-43-8.mol

Synonyms:6-OXO-6-(2-THIENYL)HEXANOIC ACID;56721-43-8;6-oxo-6-thiophen-2-ylhexanoic acid;MFCD01319919;SCHEMBL2415331;DTXSID60364877;AKOS009481491;6-OXO-6-(2-THIENYL)HEXANOICACID;6-OXO-6-(THIOPHEN-2-YL)HEXANOIC ACID

Chemical Property of 6-Oxo-6-(2-thienyl)hexanoic acid

Chemical Property:

• Vapor Pressure: 1.37E-07mmHg at 25°C
• Boiling Point: 413.8°C at 760 mmHg
• Flash Point: 204.1°C
• PSA: 82.61000
• Density: 1.24g/cm³
• LogP: 2.57580
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 212.05071541
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

6-oxo-6-(2-thienyl)hexanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C(=O)CCCCC(=O)O

Technology Process of 6-Oxo-6-(2-thienyl)hexanoic acid

There total 4 articles about 6-Oxo-6-(2-thienyl)hexanoic 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:

thiophene (188290-36-0,8014-23-1,25233-34-5) + ethyl 6-chloro-6-oxohexanoate (1071-71-2) → 5-Thenoylpentanoic acid (56721-43-8)

Guidance literature:

With tin(IV) chloride; benzene; Behandeln des Reaktionsgemisches mit wss. Salzsaeure und Behandeln des Reaktionsprodukts mit aethanol. Natronlauge;

DOI:10.1007/BF03345081

Reference yield:

2-(cyclohex-1-en-1-yl)thiophene (76576-48-2) → 5-Thenoylpentanoic acid (56721-43-8)

Guidance literature:

With chromium(VI) oxide; acetic acid;

Reference yield:

adipinic acid monoethyl ester (626-86-8) → 5-Thenoylpentanoic acid (56721-43-8)

Guidance literature:

With tetrachlorosilane; benzene; anschliessend Behandeln mit Thiophen und Zinn(IV)-chlorid, Behandeln des Reaktionsgemisches mit Eis und Erwaermen des Reaktionsprodukts mit wss. Natriumcarbonat-Loesung;

upstream raw materials:

thiophene

ethyl 6-chloro-6-oxohexanoate

2-(cyclohex-1-en-1-yl)thiophene

adipinic acid monoethyl ester

Downstream raw materials:

16-phenyl-hexadecanoic acid

16-phenylhexadecanoic acid methyl ester

6-(5-(6-Phenylhexanoyl)-2-thienyl)hexanoic Acid

6-{5-[2-(5-Phenyl-pentyl)-[1,3]dithiolan-2-yl]-thiophen-2-yl}-hexanoic acid