4-(1,3-Benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile

Base Information

Chemical Name:4-(1,3-Benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
CAS No.:54022-58-1
Molecular Formula:C19H17 N O5
Molecular Weight:339.348
Hs Code.:
NSC Number:157110
DSSTox Substance ID:DTXSID70303176
ChEMBL ID:CHEMBL2132469
Mol file:54022-58-1.mol

Synonyms:MLS003106452;54022-58-1;NSC157110;CHEMBL2132469;DTXSID70303176;NSC-157110;SMR001821355

Suppliers and Price of 4-(1,3-Benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 4-(1,3-Benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile

Chemical Property:

Vapor Pressure:1.15E-12mmHg at 25°C
Boiling Point:562.2°C at 760 mmHg
Flash Point:241.6°C
Density:1.266g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:339.11067264
Heavy Atom Count:25
Complexity:515

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OCO3)C#N)OC

Technology Process of 4-(1,3-Benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile

There total 8 articles about 4-(1,3-Benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-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:

: 151-50-8
potassium cyanide

: 88775-45-5
(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one

: 54022-58-1
2-(3,4-dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-4-oxobutyronitrile

Guidance literature:: With 2-ethoxy-ethanol; acetic acid;
DOI:10.1039/jr9590004010

Reference yield:

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 54022-58-1
2-(3,4-dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-4-oxobutyronitrile

Guidance literature:: Multi-step reaction with 2 steps

1: OH^-

2: acetic acid / 2-ethoxy-ethanol

With hydroxide; acetic acid; In 2-ethoxy-ethanol;

Reference yield:

: 120-57-0,30024-74-9
piperonal

: 54022-58-1
2-(3,4-dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-4-oxobutyronitrile

Guidance literature:: Multi-step reaction with 4 steps

2: Jones reagent

3: OH^-

4: acetic acid / 2-ethoxy-ethanol

With jones reagent; hydroxide; acetic acid; In 2-ethoxy-ethanol;