Piperonaldoxime

Base Information

• Chemical Name: Piperonaldoxime
• CAS No.: 2089-36-3
• Molecular Formula: C8H7NO3
• Molecular Weight: 165.148
• Hs Code.: 2932999099
• NSC Number: 27012,79
• Mol file: 2089-36-3.mol

Synonyms:Piperonaldoxime;Piperonal, oxime;2089-36-3;3,4-Methylenedioxybenzaldoxime;(NE)-N-(1,3-benzodioxol-5-ylmethylidene)hydroxylamine;20747-41-5;1,3-Benzodioxole-5-carboxaldehyde, oxime;(E)-N-[(2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine;AI3-22262;3,4-Methylenedioxybenzaldehyde oxime;PIPERONAL, SYN -OXIME;NSC79;NSC-79;SCHEMBL8241402;HMS560O13;VDAJDWUTRXNYMU-RUDMXATFSA-N;NSC27012;CCG-50581;NSC 27012;NSC-27012;AKOS000304461;JS-3021;1,3-Benzodioxole-5-carbaldehyde oxime #;LS-117353;CS-0270627;(5E)-1,3-benzodioxole-5-carboxaldehyde oxime;(E)-Benzo[d][1,3]dioxole-5-carbaldehydeoxime;A815006;SR-01000639946-1;(E)-1-(1,3-benzodioxol-5-yl)-N-hydroxymethanimine;Z49568304

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Chemical Property of Piperonaldoxime

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.00187mmHg at 25°C
• Melting Point: 114-116 °C
• Refractive Index: 1.603
• Boiling Point: 279.8 °C at 760 mmHg
• Flash Point: 123 °C
• PSA: 51.05000
• Density: 1.38 g/cm³
• LogP: 1.22340
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=NO
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)/C=N/O

Technology Process of Piperonaldoxime

There total 36 articles about Piperonaldoxime 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%

piperonal (120-57-0,30024-74-9) → (E)-3,4-methylenedioxybenzaldehyde oxime (2089-36-3,20747-41-5,20747-42-6)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In water;

DOI:10.1016/j.ejmech.2011.12.033

Reference yield: 95.0%

5-Nitromethyl-benzo[1,3]dioxole (128224-89-5) → (E)-3,4-methylenedioxybenzaldehyde oxime (2089-36-3,20747-41-5,20747-42-6)

Guidance literature:

With tin(II) benzenethiolate; thiophenol; triethylamine; In benzene; for 0.166667h; Ambient temperature;

DOI:10.1016/S0040-4020(01)85439-9

Reference yield: 89.0%

1,3-benzodioxol-5-ylmethyl amine (2620-50-0) → (E)-3,4-methylenedioxybenzaldehyde oxime (2089-36-3,20747-41-5,20747-42-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In ethyl acetate; at 20 ℃; for 0.333333h;

DOI:10.1021/acs.joc.5b01740

upstream raw materials:

methanol

potassium cyanide

pyridine

piperonal-(Z)-oxime

Downstream raw materials:

O-benzoyl benzaldehyde oxime ester

piperonylonitrile

Piperonylic acid

(E)-benzo[d][1,3]dioxole-5-carbaldehyde O-acetyl oxime

Refernces

• 1、 Zimmermann, Lara A.,de Moraes, Milene H.,da Rosa, Rafael,de Melo, Eduardo B.,Paula, Fávero R.,Schenkel, Eloir P.,Steindel, Mario,Bernardes, Lílian S.C.. "Synthesis and SAR of new isoxazole-triazole bis-heterocyclic compounds as analogues of natural lignans with antiparasitic activity". . p. 4850 - 4862. Retrieved 2018/09/11.
• 2、 Patil, Vilas V.,Gayakwad, Eknath M.,Shankarling, Ganapati S.. "M-CPBA mediated metal free, rapid oxidation of aliphatic amines to oximes". . p. 781 - 786. Retrieved 2016/02/18.