2-Propionylthiophene

Base Information

• Chemical Name: 2-Propionylthiophene
• CAS No.: 13679-75-9
• Molecular Formula: C7H8OS
• Molecular Weight: 140.206
• Hs Code.: 29349990
• European Community (EC) Number: 237-182-8
• NSC Number: 76041
• UNII: NY658TVP5M
• DSSTox Substance ID: DTXSID70159933
• Nikkaji Number: J45.609H
• Wikidata: Q27285103
• Metabolomics Workbench ID: 45919
• ChEMBL ID: CHEMBL4453282
• Mol file: 13679-75-9.mol

Synonyms:1-(2-Thienyl)-1-propanone;2-Propionylthiophene;13679-75-9;1-(thiophen-2-yl)propan-1-one;1-(2-Thienyl)propan-1-one;2-Propanoylthiophene;Ethyl 2-Thienyl Ketone;1-Propanone, 1-(2-thienyl)-;1-thiophen-2-ylpropan-1-one;MFCD00005446;Ethyl-2-thienylketone;Thiophene, 2-propionyl;2-(1-propionyl)thiophene;43039-99-2;UNII-NY658TVP5M;1-thien-2-ylpropan-1-one;NY658TVP5M;ETHYL-2-THIENYL KETONE;1-thiophene-2-yl-propan-1-one;EINECS 237-182-8;NSC 76041;NSC-76041;ethyl thienyl ketone;1-(2-thienyl)propanone;Propiothienone;2-propionylthiophen;NSC76041;2-propionyithiophene;1-2-thienyl-1-propanone;1 -(Thienyl)-1 -propanone;BIDD:GT0341;SCHEMBL1232758;CHEMBL4453282;MFPZQZZWAMAHOY-UHFFFAOYSA-;DTXSID70159933;CHEBI:173590;1-(thiophen-2-yl)-propan-1-one;AMY39126;Methyl-phosphonic aciddiMethyl ester;1-(2-Thienyl)-1-propanone, 9CI;BBL037420;GEO-02301;STK398288;1-(2-Thienyl)-1-propanone, 98%;AKOS000120703;AC-15717;AS-59010;SY031388;CS-0152650;FT-0605572;P1097;1-(2-Thienyl)-1-propanone, >=97%, FG;EN300-21029;I10171;A807136;W-108249;Q27285103;F0001-0465;213611-32-6

Chemical Property of 2-Propionylthiophene

Chemical Property:

• Appearance/Colour: clear colourless to light brown liquid
• Vapor Pressure: 0.0714mmHg at 25°C
• Refractive Index: n20/D 1.553(lit.)
• Boiling Point: 229 °C at 760 mmHg
• Flash Point: 92.3 °C
• PSA: 45.31000
• Density: 1.104 g/cm³
• LogP: 2.34080
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.02958605
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(2-Thienyl)-1-propanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)C1=CC=CS1
• Uses: 1-(2-Thienyl)-1-propanone is used in the production of 2-Thiothinone Hydrochloride, an analog of methcathinone hydrochloride (M225925), which is a controlled substance (stimulant).

Technology Process of 2-Propionylthiophene

There total 25 articles about 2-Propionylthiophene 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%

thiophene (188290-36-0,8014-23-1,25233-34-5) + propionyl chloride (79-03-8) → 1-thiophen-2-yl-propan-1-one (13679-75-9)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 1.5h; Inert atmosphere;

Reference yield: 100.0%

α-Ethylthiophenmethanol (23229-69-8,131213-83-7,132871-49-9,138811-98-0) → 1-thiophen-2-yl-propan-1-one (13679-75-9)

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: 96.8%

thiophene (188290-36-0,8014-23-1,25233-34-5) + propionic acid anhydride (123-62-6) → 1-thiophen-2-yl-propan-1-one (13679-75-9)

Guidance literature:

With phosphorus pentoxide; phosphoric acid; at 95 - 100 ℃; for 8h;

DOI:10.3184/174751913X13709565021526

upstream raw materials:

thiophene

trichloro-propionyloxy-silane

propionyl chloride

propionic acid anhydride

Downstream raw materials:

methyl-(1-[2]thienyl-propyl)-amine

2-methyl-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione

2-(1-Aminopropyl)-thiophen

5-methyl-4-thiophen-2-yl-pyrimidine

Refernces

• 1、 Zhang, Shuguang,Huang, Shuang,Feng, Chengliang,Cai, Jin,Chen, Junqing,Ji, Min. "Novel preparation of tiaprofenic acid". . p. 406 - 408. Retrieved 2013.
• 2、 Kammer, Lisa Marie,Badir, Shorouk O.,Hu, Ren-Ming,Molander, Gary A.. "Photoactive electron donor-acceptor complex platform for Ni-mediated C(sp3)-C(sp2) bond formation". . p. 5450 - 5457. Retrieved 2021/05/05.
• 3、 Wang, Tianze,Zhen, Dawei,Tan, Jia,Xie, Jianchun,Cheng, Jie,Zhao, Jian. "Characterization of initial reaction intermediates in heated model systems of glucose, glutathione, and aliphatic aldehydes". . . Retrieved 2019/09/12.