1-(4-Thiophen-3-yl-phenyl)-ethanone

Base Information

• Chemical Name: 1-(4-Thiophen-3-yl-phenyl)-ethanone
• CAS No.: 172035-84-6
• Molecular Formula: C12H10OS
• Molecular Weight: 202.277
• DSSTox Substance ID: DTXSID00401896
• Nikkaji Number: J694.301B
• Wikidata: Q82205189
• Mol file: 172035-84-6.mol

Synonyms:172035-84-6;1-(4-Thiophen-3-yl-phenyl)-ethanone;1-(4-thiophen-3-ylphenyl)ethanone;1-(4-(Thiophen-3-yl)phenyl)ethanone;1-[4-(3-thienyl)phenyl]ethanone;1-[4-(thiophen-3-yl)phenyl]ethan-1-one;1-(4-(Thiophen-3-yl)phenyl)ethan-1-one;SCHEMBL6516791;4'-(Thiophen-3-yl)acetophenone;DTXSID00401896;MFCD00114996;AKOS004114023;FS-2006;BB 0222586;CS-0272068;FT-0690938;EN300-745628;A811375;J-010790

Chemical Property of 1-(4-Thiophen-3-yl-phenyl)-ethanone

Chemical Property:

• PSA: 45.31000
• LogP: 3.61770
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.04523611
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

98%Min ^*data from raw suppliers

AC024794:1-(4-Thiophen-3-yl-phenyl)-ethanone 98 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Thiophen-3-yl-phenyl)-ethanone

There total 18 articles about 1-(4-Thiophen-3-yl-phenyl)-ethanone 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: 99.0%

Thien-3-ylboronic acid (6165-69-1) + para-chloroacetophenone (99-91-2) → 1-(4-(thiophen-3-yl)phenyl)ethan-1-one (172035-84-6)

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 3-(dicyclohexylphosphino)-2-(2,6-dimethoxyphenyl)-1-methyl-1H-indole; In 1,4-dioxane; at 100 ℃; for 2h; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1002/ejoc.202000068

Reference yield: 99.0%

Thien-3-ylboronic acid (6165-69-1) + para-bromoacetophenone (99-90-1) → 1-(4-(thiophen-3-yl)phenyl)ethan-1-one (172035-84-6)

Guidance literature:

With sodium carbonate; In ethanol; water; for 20h; Reflux;

DOI:10.1002/ejoc.201403038

Reference yield: 99.0%

→ 1-(4-(thiophen-3-yl)phenyl)ethan-1-one (172035-84-6)

Guidance literature:

With potassium phosphate; 3-(dicyclohexylphosphino)-2-(2,6-dimethoxyphenyl)-1-methyl-1H-indole; palladium diacetate; palladium; In 1,4-dioxane; at 100 ℃; for 24h; Schlenk technique; Inert atmosphere;

upstream raw materials:

3-thienyl iodide

4-Iodoacetophenone

Thien-3-ylboronic acid

para-chloroacetophenone

Downstream raw materials:

C₁₆H₁₂N₂O₅S

Refernces

• 1、 Li, Haoyu,Tang, Xinxin,Pang, Jia Hao,Wu, Xiangyang,Yeow, Edwin K. L.,Wu, Jie,Chiba, Shunsuke. "Polysulfide Anions as Visible Light Photoredox Catalysts for Aryl Cross-Couplings". supporting information. p. 481 - 487. Retrieved 2021/01/13.
• 2、 Wang, Erfei,Chen, Mao. "Catalyst shuttling enabled by a thermoresponsive polymeric ligand: Facilitating efficient cross-couplings with continuously recyclable ppm levels of palladium". . p. 8331 - 8337. Retrieved 2019/09/30.