5-Nitro-2-furanacrylic acid;Nitrofurylacrylamide;Trans-5-nitro-2-furanacrylic acid

Base Information

• Chemical Name: 5-Nitro-2-furanacrylic acid;Nitrofurylacrylamide;Trans-5-nitro-2-furanacrylic acid
• CAS No.: 6281-23-8
• Molecular Formula: C7H5 N O5
• Molecular Weight: 183.12
• Hs Code.: 2932190090
• Mol file: 6281-23-8.mol

Synonyms:BCP31033;AKOS016042134;SB61591;FT-0636066;D91728;5-Nitro-2-furanacrylic acid;Nitrofurylacrylamide;Trans-5-nitro-2-furanacrylic acid

Chemical Property of 5-Nitro-2-furanacrylic acid;Nitrofurylacrylamide;Trans-5-nitro-2-furanacrylic acid

Chemical Property:

• Melting Point: 238-240°C
• Refractive Index: 1.6280 (estimate)
• Boiling Point: 316.77°C (rough estimate)
• PKA: 3.95±0.10(Predicted)
• Flash Point: 164.8oC
• PSA: 96.26000
• Density: 1.6074 (rough estimate)
• LogP: 1.80880
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 183.01677226
• Heavy Atom Count: 13
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

3-(5-Nitro-2-furyl)acrylic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Nitro-2-furanacrylic acid;Nitrofurylacrylamide;Trans-5-nitro-2-furanacrylic acid

There total 3 articles about 5-Nitro-2-furanacrylic acid;Nitrofurylacrylamide;Trans-5-nitro-2-furanacrylic acid 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: 57.0%

5-nitrofurane-2-carboxaldehyde (698-63-5) + acetic anhydride (108-24-7) → 3-(5-nitro-2-furyl)acrylic acid (6281-23-8)

Guidance literature:

With sodium acetate; at 140 - 150 ℃; for 2.5h;

DOI:10.1021/jm00171a027

Reference yield: 30.0%

5-nitrofurane-2-carboxaldehyde (698-63-5) + malonic acid (141-82-2) → 3-(5-nitro-2-furyl)acrylic acid (6281-23-8)

Guidance literature:

With pyridine; at 150 ℃;

DOI:10.4067/S0717-97072015000300014

Reference yield:

→ 3-(5-nitro-2-furyl)acrylic acid (6281-23-8)

Guidance literature:

Furylacrylsaeure durch Nitrierung;

DOI:10.1021/jm00259a020

upstream raw materials:

5-nitrofurane-2-carboxaldehyde

acetic anhydride

malonic acid

Downstream raw materials:

2-[(E)-3-(5-Nitro-furan-2-yl)-acryloylamino]-3-phenyl-propionic acid ethyl ester

3-(4-Hydroxy-phenyl)-2-[(E)-3-(5-nitro-furan-2-yl)-acryloylamino]-propionic acid ethyl ester

(E)-2-(4-Nitrophenyl)-1-(5-nitro-2-furyl)ethylene

(E)-2-(4-Ethoxycarbonylphenyl)-1-(5-nitro-2-furyl)ethylene

Refernces

• 1、 -. "NOVEL COMPOUNDS AND THEIR USE". Page/Page column 44. . Retrieved 2009/03/07.