3-benzo[1,3]dioxol-5-yl-4-nitro-1-phenyl-butan-1-one

Base Information

• Chemical Name: 3-benzo[1,3]dioxol-5-yl-4-nitro-1-phenyl-butan-1-one
• CAS No.: 6947-83-7
• Molecular Formula: C17H15 N O5
• Molecular Weight: 313.31
• Hs Code.: 2932999099
• Mol file: 6947-83-7.mol

Synonyms:Butyrophenone,3-(3,4-methylenedioxyphenyl)-4-nitro- (6CI); NSC 56156

Chemical Property of 3-benzo[1,3]dioxol-5-yl-4-nitro-1-phenyl-butan-1-one

Chemical Property:

• Vapor Pressure: 8.34E-11mmHg at 25°C
• Boiling Point: 517.3°C at 760 mmHg
• Flash Point: 227.1°C
• PSA: 81.35000
• Density: 1.308g/cm³
• LogP: 3.57180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-benzo[1,3]dioxol-5-yl-4-nitro-1-phenyl-butan-1-one

There total 4 articles about 3-benzo[1,3]dioxol-5-yl-4-nitro-1-phenyl-butan-1-one 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: 72.0%

5-(2-nitrovinyl)benzo[1,3]dioxole (1485-00-3) + 1,3-diphenylpropanedione (120-46-7,61346-73-4) → 3-benzo[1,3]dioxol-5-yl-4-nitro-1-phenyl-butan-1-one (6947-83-7)

Guidance literature:

With ethanol; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 50 ℃; for 2h;

DOI:10.1007/s12039-019-1603-z

Reference yield:

5-(2-nitrovinyl)benzo[1,3]dioxole (1485-00-3) + acetophenone (98-86-2) → 3-benzo[1,3]dioxol-5-yl-4-nitro-1-phenyl-butan-1-one (6947-83-7)

Guidance literature:

With Veratric acid; tert-butyl ((1R,2R)-2-aminocyclohexyl)carbamate; tert-butyl ((1S,2S)-2-aminocyclohexyl)carbamate; In chloroform; at 25 ℃;

DOI:10.1016/j.tetasy.2015.07.011

Reference yield:

(E)-3-(benzo[d][1,3]dioxol-5-yl)-1-phenylprop-2-en-1-one (644-34-8,54619-91-9) → 3-benzo[1,3]dioxol-5-yl-4-nitro-1-phenyl-butan-1-one (6947-83-7)

Guidance literature:

With nitromethane; ethanol; diethylamine; Reagens 4: Methanol;

DOI:10.1021/ja01542a076

upstream raw materials:

(E)-3-(benzo[d][1,3]dioxol-5-yl)-1-phenylprop-2-en-1-one

5-(2-nitrovinyl)benzo[1,3]dioxole

acetophenone

1,3-diphenylpropanedione

Downstream raw materials:

3-benzo[1,3]dioxol-5-yl-5-phenyl-3,4-dihydro-2H-pyrrole

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