PIPERONYL METHYL KETONE

Base Information

• Chemical Name: PIPERONYL METHYL KETONE
• CAS No.: 4676-39-5
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2932999099
• European Community (EC) Number: 225-128-6
• NSC Number: 16688
• UNII: PNA80F81BT
• DSSTox Substance ID: DTXSID40196936
• Nikkaji Number: J62.793C
• Wikipedia: 3,4-Methylenedioxyphenylpropan-2-one
• Wikidata: Q411580
• Mol file: 4676-39-5.mol

Synonyms:2-Propanone,1-(1,3-benzodioxol-5-yl)-;2-Propanone,1-[3,4-(methylenedioxy)phenyl]- (8CI);2-Propanone,[3,4-(methylenedioxy)phenyl]- (6CI,7CI);(1,3-Benzodioxolan-5-yl)acetone;1-(3,4-Methylenedioxyphenyl)-2-propanone;1-(Acetonyl)-3,4-methylenedioxybenzene;3,4-Methylenedioxyphenyl-2-propanone;5-Acetonyl-1,3-benzodioxole;Methyl piperonyl ketone;NSC 16688;

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of PIPERONYL METHYL KETONE

Chemical Property:

• Appearance/Colour: yellow oily liquid
• Vapor Pressure: 0.00495mmHg at 25°C
• Melting Point: 87-88 °C
• Refractive Index: 1.546
• Boiling Point: 275.9 °C at 760 mmHg
• Flash Point: 111.4 °C
• PSA: 35.53000
• Density: 1.211 g/cm³
• LogP: 1.54680
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: CC(=O)CC1=CC2=C(C=C1)OCO2
• Description: Piperonyl methyl ketone (Item No. 13892) is an analytical reference standard categorized as a precursor in the synthesis of methylenedioxy phenethylamines and amphetamines, including 3,4-MDMA (Item Nos. ISO60190 | 13971). Piperonyl methyl ketone is also a potential impurity found in illicit preparations of methylenedioxy phenethylamines. This product is intended for research and forensic applications.
• Uses: Metabolite of 3,4-Methylenedioxyethylamphetamine (MDE) and 3,4-(Methylenedioxy)methamphetamine (MDMA).

Technology Process of PIPERONYL METHYL KETONE

There total 65 articles about PIPERONYL METHYL KETONE 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: 95.0%

1-allyl-3,4-methylenedioxybenzene (94-59-7) → 1-(1,3-benzodioxol-5-yl)-2-propanone (4676-39-5) + 2,2-dimethoxy-1-(3,4-methylenedioxyphenyl)propane (90176-89-9)

Guidance literature:

Reference yield: 94.0%

1,2-(methylenedioxy)-4-bromobenzene (2635-13-4) + acetone (67-64-1) → 1-(1,3-benzodioxol-5-yl)-2-propanone (4676-39-5)

Guidance literature:

With potassium phosphate; C₃₇H₅₆ClPPd; at 50 ℃; for 21h; Sealed tube; Inert atmosphere;

DOI:10.1055/s-0040-1707887

Reference yield: 94.0%

5-chloro-1,3-benzodioxole (7228-38-8) + acetone (67-64-1) → 1-(1,3-benzodioxol-5-yl)-2-propanone (4676-39-5)

Guidance literature:

With potassium phosphate; 2-(2,6-dimethoxyphenyl)-1-methyl-3-(diphenylphosphino)-1H-indole; palladium diacetate; at 90 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b02344

upstream raw materials:

3-<3,4-(methylenedioxy)-phenyl>-2-bromopropane

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

5-(3-methyl-oxiranyl)-benzo[1,3]dioxole

3-benzo[1,3]dioxol-5-yl-2-methyl-oxiranecarboxylic acid ethyl ester

Downstream raw materials:

3,4-methylenedioxymethamphetamine

N,N-Dimethyl-3,4-methylendioxyphenylisopropylamin

3,4-methylenedioxyethylamphetamine

(2-benzo[1,3]dioxol-5-yl-1-methyl-ethyl)-benzyl-amine

Refernces

• 1、 Albarrán-Velo, Jesús,Gotor-Fernández, Vicente,Lavandera, Iván. "Markovnikov Wacker-Tsuji Oxidation of Allyl(hetero)arenes and Application in a One-Pot Photo-Metal-Biocatalytic Approach to Enantioenriched Amines and Alcohols". . p. 4096 - 4108. Retrieved 2021/08/19.
• 2、 Amgoune, Abderrahmane,Derhamine, Sary Abou,Krachko, Tetiana,Monteiro, Nuno,Pilet, Guillaume,Schranck, Johannes,Tlili, Anis. "Nickel-Catalyzed Mono-Selective α-Arylation of Acetone with Aryl Chlorides and Phenol Derivatives". supporting information. p. 18948 - 18953. Retrieved 2020/09/01.