2-(Trimethylacetyl)thiophene

Base Information

• Chemical Name: 2-(Trimethylacetyl)thiophene
• CAS No.: 20409-48-7
• Molecular Formula: C9H12 O S
• Molecular Weight: 168.26
• Hs Code.: 2934999090
• European Community (EC) Number: 623-847-3
• DSSTox Substance ID: DTXSID60380315
• Nikkaji Number: J2.191.449E
• Wikidata: Q82170504
• Mol file: 20409-48-7.mol

Synonyms:2-(trimethylacetyl)thiophene;20409-48-7;2,2-dimethyl-1-(thiophen-2-yl)propan-1-one;2,2-dimethyl-1-thiophen-2-ylpropan-1-one;2,2-dimethyl-1-(2-thienyl)propan-1-one;2-pivaloylthiophene;2,2-dimethyl-1-thiophenyl-1-propanone;t-butyl-2-thienylketone;SCHEMBL3181932;DTXSID60380315;CHEBI:194736;2-(2,2-dimethylpropionyl)thiophene;2-(Trimethylacetyl)thiophene, 97%;MFCD00051668;AKOS009156428;2.2-dimethyl-1-thiophenyl-1-propanone;AS-65632;2,2-dimethyl-1-thiophen-2-yl-propan-1-one;CS-0358925;FT-0608982;E85359;EN300-1238153;A814535;J-013291;22044-14-0

Chemical Property of 2-(Trimethylacetyl)thiophene

Chemical Property:

• Vapor Pressure: 0.0243mmHg at 25°C
• Refractive Index: 1.5350
• Boiling Point: 248.4°Cat760mmHg
• Flash Point: 104°C
• PSA: 45.31000
• Density: 1.051g/cm³
• LogP: 2.97690
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.06088618
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

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

2-(Trimethylacetyl)thiophene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)C1=CC=CS1

Technology Process of 2-(Trimethylacetyl)thiophene

There total 11 articles about 2-(Trimethylacetyl)thiophene 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: 97.0%

thiophene-2-carbaldehyde (98-03-3) + 1,3-dioxoisoindolin-2-yl 3,3-dimethylbutanoate (84379-72-6) → 2,2-dimethyl-1-(2-thienyl)-1-propanone (20409-48-7)

Guidance literature:

With 3-(2,6-diisopropylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium perchlorate; caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 4h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.9b00880

Reference yield: 96.0%

2,2-dimethyl-1-(2-thiophenyl)-1-propanol → 2,2-dimethyl-1-(2-thienyl)-1-propanone (20409-48-7)

Guidance literature:

With 9-azabicyclo<3.3.1>nonane-N-oxyl; oxygen; acetic acid; sodium nitrite; at 20 ℃; for 3h; under 760.051 Torr; Reagent/catalyst; Solvent;

DOI:10.1021/cs400746m

Reference yield: 93.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + pivaloyl chloride (3282-30-2) → 2,2-dimethyl-1-(2-thienyl)-1-propanone (20409-48-7)

Guidance literature:

zinc; In toluene; at 70 ℃; for 6h;

DOI:10.1080/00397919808007034

upstream raw materials:

thiophene

pivaloyl chloride

Trimethylacetic acid

2-methyl-1-thiophen-2-yl-propan-1-one

Downstream raw materials:

2-neopentyl thiophene

2,2-dimethyl-1-(5'-nitro-2'-thienyl)propyl p-tolyl sulfide

5-nitro-2-thiophenecarboxaldehyde

2,2-dimethyl-1-[2]thienyl-propan-1-one-(2,4-dinitro-phenylhydrazone)

Refernces

• 1、 Ishii, Takuya,Kakeno, Yuki,Nagao, Kazunori,Ohmiya, Hirohisa. "N-Heterocyclic Carbene-Catalyzed Decarboxylative Alkylation of Aldehydes". supporting information. p. 3854 - 3858. Retrieved 2019/04/25.
• 2、 -. "Transition metal complex, the dye and pigment-containing oxide semiconductor electrode and dye-sensitized solar cell". Paragraph 0124-0126. . Retrieved 2016/12/12.