5-Nitrofurfuryl acetate

Base Information

• Chemical Name: 5-Nitrofurfuryl acetate
• CAS No.: 5407-68-1
• Molecular Formula: C7H7NO5
• Molecular Weight: 185.136
• Hs Code.: 2932190090
• European Community (EC) Number: 226-469-3
• NSC Number: 6462
• UNII: 5I2X1D2NE3
• DSSTox Substance ID: DTXSID90202399
• Nikkaji Number: J37.046K
• Wikidata: Q27262258
• Mol file: 5407-68-1.mol

Synonyms:5-Nitrofurfuryl acetate;5407-68-1;UNII-5I2X1D2NE3;5I2X1D2NE3;2-Furanmethanol, 5-nitro-, acetate (ester);NSC-6462;EINECS 226-469-3;AI3-23605;5-Nitrofurfuryl=acetate;5-nitro-2-furfuryl acetate;SCHEMBL436082;DTXSID90202399;NSC6462;NSC 6462;(5-Nitro-2-furyl)methyl acetate #;2-Furanmethanol, 5-nitro-, acetate;FURFURYL ALCOHOL, 5-NITRO-, ACETATE;2-FURANMETHANOL, 5-NITRO-, 2-ACETATE;FURFURYL ALCOHOL, 5-NITRO-, ACETATE (ESTER);Q27262258

Chemical Property of 5-Nitrofurfuryl acetate

Chemical Property:

• Vapor Pressure: 0.00481mmHg at 25°C
• Boiling Point: 276.4°Cat760mmHg
• Flash Point: 121°C
• PSA: 85.26000
• Density: 1.352g/cm³
• LogP: 1.77410
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 185.03242232
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=C(O1)[N+](=O)[O-]

Technology Process of 5-Nitrofurfuryl acetate

There total 2 articles about 5-Nitrofurfuryl acetate 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: 93.0%

furfurylacetate (623-17-6) → 2-Acetoxymethyl-5-nitro-furan (5407-68-1)

Guidance literature:

With nitric acid; In acetic anhydride; for 1h;

Reference yield:

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) → 2-Acetoxymethyl-5-nitro-furan (5407-68-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate / toluene / 4 h / Reflux

2: nitric acid / acetic anhydride / 1 h

With nitric acid; sodium acetate; In acetic anhydride; toluene;

Reference yield:

2-Acetoxymethyl-5-nitro-furan (5407-68-1) → 5-nitrofurane-2-carboxaldehyde (698-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous sulfuric acid

2: manganese (IV)-oxide; aqueous sulfuric acid

With manganese(IV) oxide; sulfuric acid;

DOI:10.1021/ja01356a046

upstream raw materials:

furfurylacetate

(2-furyl)methyl alcohol

Downstream raw materials:

5-nitrofurane-2-carboxaldehyde

nitrofurazone

Refernces

• 1、 -. "Method for synthesizing furacilin under catalysis of supported catalyst". Paragraph 0006; 0017-0018; 0023-0024; 0028-0029. . Retrieved 2018/06/26.