Diethyl 2-thenylidenemalonate

Base Information

• Chemical Name: Diethyl 2-thenylidenemalonate
• CAS No.: 30313-06-5
• Molecular Formula: C12H14 O4 S
• Molecular Weight: 254.307
• DSSTox Substance ID: DTXSID70184407
• Nikkaji Number: J147.616E
• Mol file: 30313-06-5.mol

Synonyms:30313-06-5;Diethyl 2-thenylidenemalonate;diethyl 2-(2-thienylmethylidene)malonate;diethyl 2-(thiophen-2-ylmethylene)malonate;diethyl 2-(thiophen-2-ylmethylidene)propanedioate;BRN 0212007;MALONIC ACID, (2-THENYLIDENE)-, DIETHYL ESTER;Propanedioic acid, 2-(2-thienylmethylene)-, 1,3-diethyl ester;C12H14O4S;DTXSID70184407;MFCD00115066;2-Thenylidenemalonic acid diethyl ester;diethyl 2-(2-thienylmethylene)malonate;LS-88838;diethyl 2-(2-thienylmethylene)propanedioate;FT-0638917;A820316;1,3-diethyl 2-[(thiophen-2-yl)methylidene]propanedioate;Propanedioic acid, (2-thienylmethylene)-, diethyl ester;2-(thiophen-2-yl-methylene)-propanedioic acid diethyl ester

Chemical Property of Diethyl 2-thenylidenemalonate

Chemical Property:

• Vapor Pressure: 0.000318mmHg at 25°C
• Boiling Point: 320.4°Cat760mmHg
• Flash Point: 147.6°C
• PSA: 80.84000
• Density: 1.215g/cm³
• LogP: 2.25770
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 254.06128010
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

97% ^*data from raw suppliers

DIETHYL 2-(2-THIENYLMETHYLIDENE)MALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=CC=CS1)C(=O)OCC

Technology Process of Diethyl 2-thenylidenemalonate

There total 2 articles about Diethyl 2-thenylidenemalonate 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: 99.0%

thiophene-2-carbaldehyde (98-03-3) + diethyl malonate (105-53-3) → diethyl 2-(thiophen-2-ylmethylene)malonate (30313-06-5)

Guidance literature:

With piperidine; In toluene; for 6.5h; Heating;

DOI:10.1002/ejoc.200500515

Reference yield:

→ diethyl 2-(thiophen-2-ylmethylene)malonate (30313-06-5)

Guidance literature:

Thiophen-2-carbaldehyd 4, entspr. Malondiester;

Reference yield: 99.0%

N-cycloheptatrienylidene-4-methyl-aniline (949-68-8) + diethyl 2-(thiophen-2-ylmethylene)malonate (30313-06-5) → (2R,3aS)-diethyl 1,2-dihydro-2-(thiophen-2-yl)-1-p-tolylcyclohepta[b]pyrrole-3,3(3aH)-dicarboxylate

Guidance literature:

diethyl 2-(thiophen-2-ylmethylene)malonate; With nickel(II) tetrafluoroborate hexahydrate; C₄₃H₆₄N₄O₄; In dichloromethane; at 35 ℃; for 0.5h;

N-cycloheptatrienylidene-4-methyl-aniline; In dichloromethane; at 0 ℃; for 16h; stereoselective reaction;

DOI:10.1002/anie.201209601

upstream raw materials:

thiophene-2-carbaldehyde

diethyl malonate

Downstream raw materials:

2-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propenyl)-imidazol-1-ylmethyl]-benzoic acid

SKF 108834

3-ethoxy-3-oxo-2-(thien-3-ylmethyl)propanoic acid

(E)-3-[2-n-butyl-1-{(2,3-dichlorophenyl)methyl}-1H-imidazol-5-yl]-2-(thien-2-yl)methyl-2-propenoic acid