1-(Thiophen-2-yl)butan-1-one

Base Information

• Chemical Name: 1-(Thiophen-2-yl)butan-1-one
• CAS No.: 5333-83-5
• Molecular Formula: C8H10OS
• Molecular Weight: 154.233
• Hs Code.: 2934999090
• European Community (EC) Number: 226-246-0
• NSC Number: 2350
• UNII: BIQ5M88OLZ
• DSSTox Substance ID: DTXSID10201480
• Nikkaji Number: J45.630F
• Wikidata: Q27274691
• Metabolomics Workbench ID: 45795
• Mol file: 5333-83-5.mol

Synonyms:5333-83-5;1-(thiophen-2-yl)butan-1-one;2-Butanoylthiophene;2-Butyrylthiophene;2-n-Butyrylthiophene;1-(2-Thienyl)-1-butanone;1-(2-Thienyl)butan-1-one;1-thien-2-ylbutan-1-one;Ketone, propyl 2-thienyl;1-thiophen-2-ylbutan-1-one;1-Butanone, 1-(2-thienyl)-;n-Propyl 2-thienyl ketone;1-Thiophen-2-yl-butan-1-one;UNII-BIQ5M88OLZ;1-(thien-2-yl)butanone;BIQ5M88OLZ;AI3-13195;NSC-2350;EINECS 226-246-0;2-Butyrothienone;NSC2350;Propyl 2-thienyl ketone;SCHEMBL3177576;DTXSID10201480;CHEBI:173416;1-(thiophen-2-yl)-butan-1-one;NSC 2350;BBL037633;GEO-02300;MFCD00022503;STK502524;AKOS003956338;FS-1782;AI313195;1-(THIOPHEN-2-YL)-BUTANE-1-ONE;AI3 13195;CS-0188350;FT-0611647;E78158;W-200413;Q27274691

Chemical Property of 1-(Thiophen-2-yl)butan-1-one

Chemical Property:

• Vapor Pressure: 0.0282mmHg at 25°C
• Refractive Index: 1.5430
• Boiling Point: 245.8 °C at 760 mmHg
• Flash Point: 102.4 °C
• PSA: 45.31000
• Density: 1.075 g/cm³
• LogP: 2.73090
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 154.04523611
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-THIENYL)-1-BUTANONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)C1=CC=CS1

Technology Process of 1-(Thiophen-2-yl)butan-1-one

There total 18 articles about 1-(Thiophen-2-yl)butan-1-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: 100.0%

α-Propylthiophenmethanol (138767-12-1) → 2-butyrylthiophene (5333-83-5)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutyl-ammonium chloride; sodium carbonate; copper dichloride; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt; In water; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2006.01.061

Reference yield: 87.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + butyryl chloride (141-75-3) → 2-butyrylthiophene (5333-83-5)

Guidance literature:

With MoO₄(AlCl₂)2; In neat (no solvent); at 20 ℃; for 8h; Green chemistry;

DOI:10.1166/jnn.2015.11253

Reference yield: 85.0%

2-Thiophenecarbonyl chloride (5271-67-0) + 1-propylmagnesium chloride (2234-82-4) → 2-butyrylthiophene (5333-83-5)

Guidance literature:

With Bis<2-(N,N-dimethylamino)aethyl>aether; In tetrahydrofuran; cooling;

DOI:10.1021/ol052150q

upstream raw materials:

thiophene

butanoic acid anhydride

butyric acid trichlorosilanyl ester

butyryl chloride

Downstream raw materials:

5-n-butylthiophene-2-carbaldehyde

1-(2-Benzyl-1,1-dioxo-2,5-dihydro-1H-1λ⁶-thiophen-2-yl)-butan-1-one

C₁₅H₁₈O

ethanol

Refernces

• 1、 Huang, Hui,Chen, Zhihua,Ortiz, Rocio Ponce,Newman, Christopher,Usta, Hakan,Lou, Sylvia,Youn, Jangdae,Noh, Yong-Young,Baeg, Kang-Jun,Chen, Lin X.,Facchetti, Antonio,Marks, Tobin. "Combining electron-neutral building blocks with intramolecular conformational locks affords stable, high-mobility P- and N-channel polymer semiconductors". . p. 10966 - 10973. Retrieved 2012.
• 2、 Zhang, Kezhuo,Huang, Jiaxin,Zhao, Wanxiang. "Rh-Catalyzed Coupling of Aldehydes with Allylboronates Enables Facile Access to Ketones". supporting information. . Retrieved 2022/02/21.
• 3、 Jadhav, Arvind H.,Chinnappan, Amutha,Hiremath, Vishwanath,Seo, Jeong Gil. "Synthesis and characterization of AlCl3 impregnated molybdenum oxide as heterogeneous nano-catalyst for the Friedel-Crafts acylation reaction in ambient condition". . p. 8243 - 8250. Retrieved 2015/11/27.