5-(2-Thienyl)tetrahydrothiophen-3-one

Base Information

• Chemical Name: 5-(2-Thienyl)tetrahydrothiophen-3-one
• CAS No.: 108372-48-1
• Molecular Formula: C₈H₈OS₂
• Molecular Weight: 184.283
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70381217
• Mol file: 108372-48-1.mol

Synonyms:108372-48-1;5-(2-THIENYL)TETRAHYDROTHIOPHEN-3-ONE;5-(thiophen-2-yl)thiolan-3-one;5-thiophen-2-ylthiolan-3-one;5-(Thiophen-2-yl)dihydrothiophen-3(2H)-one;[2,2'-Bithiophen]-4(5H)-one,2,3-dihydro-;2,3-Dihydro-2,2'-bithiophen-4(5H)-one;HMS555E19;5-(Thien-2-yl)tetrahydrothiophen-3-one;Maybridge1_004859;SCHEMBL7166581;DTXSID70381217;CCG-46719;AKOS015908922;PS-4390;CS-0329693;FT-0619612;SR-01000636396-1

Chemical Property of 5-(2-Thienyl)tetrahydrothiophen-3-one

Chemical Property:

• Vapor Pressure: 0.000242mmHg at 25°C
• Melting Point: 55-58°C
• Boiling Point: 324.6°Cat760mmHg
• Flash Point: 150.1°C
• PSA: 70.61000
• Density: 1.331g/cm³
• LogP: 2.49520
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 184.00165722
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

98%min ^*data from raw suppliers

5-(Thien-2-yl)tetrahydrothiophen-3-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(SCC1=O)C2=CC=CS2

Technology Process of 5-(2-Thienyl)tetrahydrothiophen-3-one

There total 2 articles about 5-(2-Thienyl)tetrahydrothiophen-3-one 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:

methyl (E)-3-(2-thienyl)propenoate (57502-38-2) → 2,3-dihydro-[2,2']bithienyl-4-one (108372-48-1)

Guidance literature:

With piperidine; ethyl 2-sulfanylacetate; Behandeln des Reaktionsprodukts mit Natriummethylat in Aether und Erhitzen des danach isolierten Reaktionsprodukts mit wss. Schwefelsaeure;

DOI:10.1021/ja01565a058

Reference yield:

3-(2-thienyl)-2-propenoic acid (1124-65-8,15690-25-2,51019-83-1) → 2,3-dihydro-[2,2']bithienyl-4-one (108372-48-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid

2: mercaptoacetic acid ethyl ester; piperidine / Behandeln des Reaktionsprodukts mit Natriummethylat in Aether und Erhitzen des danach isolierten Reaktionsprodukts mit wss. Schwefelsaeure

With piperidine; sulfuric acid; ethyl 2-sulfanylacetate;

DOI:10.1021/ja01565a058

upstream raw materials:

methyl (E)-3-(2-thienyl)propenoate

3-(2-thienyl)-2-propenoic acid