3-(Diethoxymethyl)thiophene

Base Information

• Chemical Name: 3-(Diethoxymethyl)thiophene
• CAS No.: 3199-44-8
• Molecular Formula: C9H14 O2 S
• Molecular Weight: 186.275
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50426519
• Wikidata: Q82239413
• Mol file: 3199-44-8.mol

Synonyms:3-(diethoxymethyl)thiophene;3199-44-8;THIOPHENE-3-CARBOXALDEHYDE DIETHYL ACETAL;DTXSID50426519;MFCD01318173;3-thiophenecarboxaldehyde diethyl acetal;AS-59247;CS-0196395;E89563

Chemical Property of 3-(Diethoxymethyl)thiophene

Chemical Property:

• Vapor Pressure: 0.148mmHg at 25°C
• Refractive Index: 1.4865
• Boiling Point: 130°C 30mm
• Flash Point: 130°C/30mm
• PSA: 46.70000
• Density: 1.066g/cm³
• LogP: 2.81970
• Water Solubility.: Insoluble in water.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 186.07145086
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

Thiophene-3-carboxaldehyde diethyl acetal 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C1=CSC=C1)OCC
• Uses: Thiophene-3-carboxaldehyde diethyl aceta is used in OLED materials. Also used as electronic intermediate.

Technology Process of 3-(Diethoxymethyl)thiophene

There total 3 articles about 3-(Diethoxymethyl)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: 92.0%

3-thiophene carboxaldehyde (498-62-4) + orthoformic acid triethyl ester (122-51-0) → 3-formylthiophene diethyl acetal (3199-44-8)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; for 6h; Reflux;

DOI:10.1021/acs.joc.9b01677

Reference yield:

3-thienyl iodide (10486-61-0) + orthoformic acid triethyl ester (122-51-0) → 3-formylthiophene diethyl acetal (3199-44-8)

Guidance literature:

With magnesium;

Reference yield:

→ 3-formylthiophene diethyl acetal (3199-44-8)

Guidance literature:

3-Formyl-thiophen, Orthoameisensaeuretriethylester;

upstream raw materials:

3-thienyl iodide

orthoformic acid triethyl ester

3-thiophene carboxaldehyde

Refernces

• 1、 Shintani, Ryo,Murakami, Masataka,Hayashi, Tamio. "Stereoselective synthesis of nipecotic acid derivatives via palladium-catalyzed decarboxylative cyclization of γ-methylidene-δ- valerolactones with imines". supporting information; experimental part. p. 457 - 459. Retrieved 2009/07/11.