2-Furancarboxylic acid, 5-nitro-, propyl ester

Base Information

• Chemical Name: 2-Furancarboxylic acid, 5-nitro-, propyl ester
• CAS No.: 20001-36-9
• Molecular Formula: C8H9NO5
• Molecular Weight: 199.1608
• NSC Number: 74626
• DSSTox Substance ID: DTXSID50173814
• Nikkaji Number: J49.584K
• Wikidata: Q83043843

Synonyms:n-Propyl-5-nitro-2-furoate;2-Nitrofuran-5-carboxylate propyl ester;NSC 74626;20001-36-9;BRN 1378786;2-Furoic acid, 5-nitro-, propyl ester;2-FURANCARBOXYLIC ACID, 5-NITRO-, PROPYL ESTER;AI3-23600;NSC74626;NCIOpen2_000765;DTXSID50173814;NSC-74626;AKOS008949522;LS-70181;5-Nitro-2-furancarboxylic acid propyl ester

Chemical Property of 2-Furancarboxylic acid, 5-nitro-, propyl ester

Chemical Property:

• Vapor Pressure: 0.000706mmHg at 25°C
• Boiling Point: 307.9°Cat760mmHg
• Flash Point: 140°C
• Density: 1.285g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 199.04807239
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=CC=C(O1)[N+](=O)[O-]

Technology Process of 2-Furancarboxylic acid, 5-nitro-, propyl ester

There total 1 articles about 2-Furancarboxylic acid, 5-nitro-, propyl ester 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:

→ propyl 5-nitro-2-furancarboxylate (20001-36-9)

Guidance literature:

Dioxolan IIe, tert.-Butylperoxid;

DOI:10.1007/BF00945587

Reference yield: 54.0%

propyl 5-nitro-2-furancarboxylate (20001-36-9) + Thiosalicylic acid (147-93-3) → propyl 5-(2-carboxyphenylthio)-2-furancarboxylate

Guidance literature:

Thiosalicylic acid; With sodium hydride; In N,N-dimethyl-formamide; at 5 ℃;

propyl 5-nitro-2-furancarboxylate; In N,N-dimethyl-formamide; at 80 ℃; for 3h; Further stages.;

DOI:10.1002/jhet.5570440527

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