3,4-Methylenedioxyphenyl-2-propanone-2-oxime

Base Information

• Chemical Name: 3,4-Methylenedioxyphenyl-2-propanone-2-oxime
• CAS No.: 136056-99-0
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• DSSTox Substance ID: DTXSID401344421
• Nikkaji Number: J1.379.615G
• Mol file: 136056-99-0.mol

Synonyms:Mdpp oxime;1-(3,4-Methylenedioxyphenyl-2-propanone oxime;OHIFAOJHDDQCEV-YRNVUSSQSA-N;DTXSID401344421;AKOS006278333;136056-99-0;3,4-Methylenedioxyphenyl-2-propanone-2-oxime;(Z)-1-(1,3-Benzodioxole-5-yl)-2-propanoneoxime;1-(3,4-Methylenedioxyphenyl)-2-propanone-2-oxime;(2E)-1-(1,3-Benzodioxol-5-yl)-2-propanone oxime;(2E)-1-(1,3-Benzodioxol-5-yl)-2-propanone oxime #

Chemical Property of 3,4-Methylenedioxyphenyl-2-propanone-2-oxime

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)CC1=CC2=C(C=C1)OCO2
• Isomeric SMILES: C/C(=N\O)/CC1=CC2=C(C=C1)OCO2

Technology Process of 3,4-Methylenedioxyphenyl-2-propanone-2-oxime

There total 6 articles about 3,4-Methylenedioxyphenyl-2-propanone-2-oxime 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: 82.0%

5-(2-nitroprop-1-enyl)benzo[d][1,3]dioxole (5438-41-5) → benzo[1,3]dioxol-5-yl-acetone oxime (136056-99-0,52271-42-8)

Guidance literature:

With zinc(II) tetrahydroborate; In 1,2-dimethoxyethane; for 7h; Ambient temperature;

DOI:10.1016/0040-4039(91)80839-X

Reference yield: 51.0%

1-(1,3-benzodioxol-5-yl)-2-propanone (4676-39-5) → benzo[1,3]dioxol-5-yl-acetone oxime (136056-99-0,52271-42-8)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; for 2h; Heating;

DOI:10.1002/jps.2600690220

Reference yield: 6.0%

5-(2-nitroprop-1-enyl)benzo[d][1,3]dioxole (5438-41-5) → 1-(1,3-benzodioxol-5-yl)-2-propanone (4676-39-5) + benzo[1,3]dioxol-5-yl-acetone oxime (136056-99-0,52271-42-8)

Guidance literature:

With sulfuric acid; toluene-4-sulfonic acid; In methanol; at 0 - 5 ℃; ceramic diaphragm, carbon-rod anode, platinum cathode, 4.5 F/mol, 0.1A, cathode potential -1.45 to -1.65V vs. SCE;

DOI:10.1021/jo00160a036

upstream raw materials:

1-(1,3-benzodioxol-5-yl)-2-propanone

5-(2-nitroprop-1-enyl)benzo[d][1,3]dioxole

2-nitro-1-(3,4-methylenedioxyphenyl)-1-propene

isosafrole

Downstream raw materials:

3,4-methylenedioxyamphetamine

N-hydroxy-3,4-methylenedioxyamphetamine

3-benzyloxy-benzoic acid-(2-benzo[1,3]dioxol-5-yl-1-methyl-ethylamide)