Ethyl 3-(dimethylamino)-2-formylprop-2-enoate

Base Information

• Chemical Name: Ethyl 3-(dimethylamino)-2-formylprop-2-enoate
• CAS No.: 92385-43-8
• Molecular Formula: C8H13NO3
• Molecular Weight: 171.196
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID70694874
• Mol file: 92385-43-8.mol

Synonyms:DTXSID70694874;FT-0689851;ethyl 3-(dimethylamino)-2-formylprop-2-enoate

Chemical Property of Ethyl 3-(dimethylamino)-2-formylprop-2-enoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 149-150 °C
• Refractive Index: 1.464
• Boiling Point: 366.913 °C at 760 mmHg
• Flash Point: 175.703 °C
• PSA: 46.61000
• Density: 1.056 g/cm³
• LogP: 0.19390
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 171.08954328
• Heavy Atom Count: 12
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-dimethylamino-2-formylacrylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CN(C)C)C=O

Technology Process of Ethyl 3-(dimethylamino)-2-formylprop-2-enoate

There total 2 articles about Ethyl 3-(dimethylamino)-2-formylprop-2-enoate 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: 50.0%

3-oxo-propionic acid ethyl ester (34780-29-5) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 3-(N,N-dimethylamino)-2-ethoxycarbonylacrolein (92385-43-8)

Guidance literature:

In ethanol; for 1.5h; Heating;

DOI:10.1016/j.bmcl.2004.04.034

Reference yield:

ethyl potassium malonate (6148-64-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → ethyl 3-(dimethylamino)-2-formylprop-2-enoate (92385-43-8)

Guidance literature:

With trichlorophosphate;

Reference yield: 75.0%

benzamidine monohydrochloride (1670-14-0) + ethyl 3-(dimethylamino)-2-formylprop-2-enoate (92385-43-8) → 2-phenylpyrimidine-5-carboxylic acid ethyl ester (85386-14-7)

Guidance literature:

With sodium; In ethanol; for 1h; Heating;

DOI:10.1021/jm0001626

upstream raw materials:

3-oxo-propionic acid ethyl ester

N,N-dimethyl-formamide dimethyl acetal

ethyl potassium malonate

N,N-dimethyl-formamide

Downstream raw materials:

ethyl 1-phenylpyrazole-4-carboxylate

2-phenylpyrimidine-5-carboxylic acid ethyl ester

ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate

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