Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
• CAS No.: 14476-67-6
• Molecular Formula: C9H10 N2 O3
• Molecular Weight: 194.19
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID10351196
• Nikkaji Number: J2.391.537E
• Wikidata: Q82127409
• Mol file: 14476-67-6.mol

Synonyms:14476-67-6;ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate;ethyl 5-amino-4-cyano-2-methyl-3-furoate;3-Furancarboxylic acid, 5-amino-4-cyano-2-methyl-, ethyl ester;MFCD00159507;IFLab1_000861;SCHEMBL21002895;DTXSID10351196;HMS1414H03;STK409603;AKOS000272982;CCG-125210;SB61676;CS-0127799;FT-0737985;EN300-10531;F20180;AK-968/40000922;ETHYL5-AMINO-4-CYANO-2-METHYL-3-FUROATE;Z56347420;F0283-0060;5-amino-4-cyano-2-methylfuran-3-carboxylic acid ethyl ester

Chemical Property of Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate

Chemical Property:

• Vapor Pressure: 3.93E-06mmHg at 25°C
• Melting Point: 208 °C
• Boiling Point: 385°Cat760mmHg
• PKA: -1.99±0.10(Predicted)
• Flash Point: 186.6°C
• PSA: 89.25000
• Density: 1.25g/cm³
• LogP: 1.79978
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 271

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl5-Amino-4-cyano-2-methylfuran-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(OC(=C1C#N)N)C

Technology Process of Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate

There total 1 articles about Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate 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: 76.0%

bromomalononitrile (1885-22-9) + ethyl acetoacetate (141-97-9) → ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate (14476-67-6)

Guidance literature:

With piperidine; In ethanol; for 0.25h; Heating;

Reference yield:

ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate (14476-67-6) → ethyl 6-methyl-4-(4-(phenylcarbamoyl)piperazin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate

Guidance literature:

Multi-step reaction with 4 steps

1: acetic anhydride / 48 h

2: trichlorophosphate / 3 h / Reflux

3: isopropyl alcohol / 6 h / Reflux

4: chloroform / 6 h / 20 °C

With acetic anhydride; trichlorophosphate; In chloroform; isopropyl alcohol;

DOI:10.1039/d0ra06428a

Reference yield:

ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate (14476-67-6) → eethyl 6-methyl-4-(4-(m-tolylcarbamoyl)piperazin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate

Guidance literature:

Multi-step reaction with 4 steps

1: acetic anhydride / 48 h

2: trichlorophosphate / 3 h / Reflux

3: isopropyl alcohol / 6 h / Reflux

4: chloroform / 6 h / 20 °C

With acetic anhydride; trichlorophosphate; In chloroform; isopropyl alcohol;

DOI:10.1039/d0ra06428a

upstream raw materials:

bromomalononitrile

ethyl acetoacetate

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