2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile

Base Information

• Chemical Name: 2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile
• CAS No.: 24966-30-1
• Molecular Formula: C11H9NO3
• Molecular Weight: 203.197
• Mol file: 24966-30-1.mol

Synonyms:2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile;a-Acetyl-1,3-benzodioxole-5-acetonitrile

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Chemical Property of 2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile

Chemical Property:

• Boiling Point: 307.4±42.0 °C(Predicted)
• PSA: 59.32000
• Density: 1.288±0.06 g/cm3(Predicted)
• LogP: 1.61148

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile

There total 5 articles about 2-(Benzo[d][1,3]dioxol-5-yl)-3-oxobutanenitrile 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: 88.0%

ethyl acetate (141-78-6) + 3,4-methylenedioxyphenylacetonitrile (4439-02-5) → α-acetyl-α-(3',4'-methylenedioxyphenyl)acetonitrile (24966-30-1)

Guidance literature:

3,4-methylenedioxyphenylacetonitrile; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 1h;

ethyl acetate; In tetrahydrofuran; mineral oil; at 0 - 70 ℃; for 4h;

DOI:10.1002/asia.201300595

Reference yield:

piperonal (120-57-0,30024-74-9) → α-acetyl-α-(3',4'-methylenedioxyphenyl)acetonitrile (24966-30-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium tetrahydroborate / methanol / 0.5 h / 0 - 20 °C

2.1: hydrogenchloride / 1.5 h / 0 - 20 °C

3.1: tetrabutylammomium bromide / water; chloroform / 2 h / 20 - 60 °C

4.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 - 20 °C

4.2: 4 h / 0 - 70 °C

With hydrogenchloride; sodium tetrahydroborate; tetrabutylammomium bromide; sodium hydride; In tetrahydrofuran; methanol; chloroform; water; mineral oil; 4.2: |Michael Addition;

DOI:10.1002/asia.201300595

Reference yield:

piperonol (495-76-1) → α-acetyl-α-(3',4'-methylenedioxyphenyl)acetonitrile (24966-30-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogenchloride / 1.5 h / 0 - 20 °C

2.1: tetrabutylammomium bromide / water; chloroform / 2 h / 20 - 60 °C

3.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 - 20 °C

3.2: 4 h / 0 - 70 °C

With hydrogenchloride; tetrabutylammomium bromide; sodium hydride; In tetrahydrofuran; chloroform; water; mineral oil; 3.2: |Michael Addition;

DOI:10.1002/asia.201300595

upstream raw materials:

ethyl acetate

3,4-methylenedioxyphenylacetonitrile

piperonal

piperonol