2-Acetylthiophene ethylene acetal

Base Information

• Chemical Name: 2-Acetylthiophene ethylene acetal
• CAS No.: 5916-12-1
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• Hs Code.: 2934999090
• European Community (EC) Number: 677-866-7
• Mol file: 5916-12-1.mol

Synonyms:2-Acetylthiophene ethylene acetal;5916-12-1;2-methyl-2-thiophen-2-yl-[1,3]dioxolane;SCHEMBL754463;CNPKXFSCQYGEQV-UHFFFAOYSA-N;AKOS022358280;2-Methyl-2-(2-thienyl)-1,3-dioxolan;2-(2-methyl[1,3]dioxolane-2-yl)thiophene;FT-0635904;2-METHYL-2-(THIOPHEN-2-YL)-1,3-DIOXOLANE

Chemical Property of 2-Acetylthiophene ethylene acetal

Chemical Property:

• Vapor Pressure: 0.0495mmHg at 25°C
• Melting Point: 30-33 °C
• Refractive Index: 1.535
• Boiling Point: 243.7 °C at 760 mmHg
• Flash Point: 101.2 °C
• PSA: 46.70000
• Density: 1.191 g/cm³
• LogP: 1.96760
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

98%Min ^*data from raw suppliers

2-ACETYLTHIOPHENE ETHYLENE ACETAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCCO1)C2=CC=CS2

Technology Process of 2-Acetylthiophene ethylene acetal

There total 2 articles about 2-Acetylthiophene ethylene acetal 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: 79.0%

2-Acetylthiophene (88-15-3,97511-16-5) + ethylene glycol (107-21-1) → 2-methyl-2-(thiophen-2-yl)-[1,3]dioxolane (5916-12-1)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 16h; Heating;

DOI:10.1016/S0040-4020(01)91401-2

Reference yield:

→ 2-methyl-2-(thiophen-2-yl)-[1,3]dioxolane (5916-12-1)

Guidance literature:

2-<5-Brom-thien-2-yl>-2-methyl-<1,3>dioxolan, Mg/Tetrahydrofuran; Rk.-Gemisch mit wss. Alkali behandeln;

Reference yield: 92.0%

2-methyl-2-(thiophen-2-yl)-[1,3]dioxolane (5916-12-1) + 4-fluorobenzaldehyde (459-57-4) → (4-fluorophenyl)-[5-(2-methyl[1,3]dioxolane-2-yl)thiophene-2-yl]methyl alcohol (500367-27-1)

Guidance literature:

2-methyl-2-(thiophen-2-yl)-[1,3]dioxolane; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1.16667h;

4-fluorobenzaldehyde; In tetrahydrofuran; for 0.25h;

With ammonium chloride; water; In tetrahydrofuran;

upstream raw materials:

2-Acetylthiophene

ethylene glycol

Downstream raw materials:

2-[5-(2-Methyl-[1,3]dioxolan-2-yl)-thiophene-2-carbonyl]-benzoic acid

5-acetylthiophene-2-carbaldehyde

5-acetylthiophene-2-carboxylic acid

2-[5-(4-methoxyphenyl)thiophen-2-yl]-2-methyl-1,3-dioxolane

Refernces

• 1、 Carpenter, Andrew J,,Chadwick, Derek J.. "CHEMOSELECTIVE PROTECTION OF HETEROAROMATIC ALDEHYDES AS IMIDAZOLIDINE DERIVATIVES. PREPARATION OF 5-SUBSTITUTED FURAN- AND TIOPHENE-2-CARBOXALDEHYDES VIA METALLO-IMIDAZOLIDINE INTERMEDIATES". . p. 3803 - 3812. Retrieved 2007/10/02.