Piperoin

Base Information

• Chemical Name: Piperoin
• CAS No.: 4720-82-5
• Molecular Formula: C₁₆H₁₂O₆
• Molecular Weight: 300.268
• Hs Code.: 2932999099
• European Community (EC) Number: 664-102-2
• NSC Number: 40921,39453
• DSSTox Substance ID: DTXSID001243508
• Nikkaji Number: J208.917C
• Mol file: 4720-82-5.mol

Synonyms:Piperoin;4720-82-5;Piperonyloin;1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone;BRN 0327019;AI3-03738;Ethanone, 1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxy-;5-19-12-00046 (Beilstein Handbook Reference);1,2-Bis(benzo[d][1,3]dioxol-5-yl)-2-hydroxyethanone;Ethanone,2-bis(1,3-benzodioxol-5-yl)-2-hydroxy-;NSC39453;SCHEMBL67645;Bis(3,4-methylenedioxy)benzoin;DTXSID001243508;NSC40921;MFCD00043584;NSC 39453;NSC 40921;NSC-39453;NSC-40921;AKOS025116664;3,4:3',4'-Bis(methylenedioxy)benzoin;LS-67164;FT-0606290;P1046;4-ETHOXY-2-PHENYL-5-PYRIMIDINECARBOXYLICACID;1,2-di(benzo[d][1,3]dioxol-5-yl)-2-hydroxyethanone;5-(2-(1,3-BENZODIOXOL-5-YL)-2-(HYDROXY)ACETYL)-1,3-BENZODIOXOLE

Chemical Property of Piperoin

Chemical Property:

• Vapor Pressure: 1.61E-11mmHg at 25°C
• Melting Point: 121oC
• Boiling Point: 517.1°Cat760mmHg
• Flash Point: 197.8°C
• PSA: 74.22000
• Density: 1.484g/cm³
• LogP: 2.06030
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 300.06338810
• Heavy Atom Count: 22
• Complexity: 427

Purity/Quality:

98%,99%, ^*data from raw suppliers

PIPEROIN 98.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=CC4=C(C=C3)OCO4)O

Technology Process of Piperoin

There total 8 articles about Piperoin 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: 83.0%

α-benzoyloxy-3,4;3',4'-bis-methylenedioxy-deoxybenzoin (102034-62-8) → piperoin (4720-82-5)

Guidance literature:

With sodium hydroxide; In water; acetonitrile; Ambient temperature;

DOI:10.1016/S0040-4020(01)96667-0

Reference yield: 81.0%

piperonal (120-57-0,30024-74-9) → piperoin (4720-82-5)

Guidance literature:

With 1,3-dimethylbenzimidazolium Iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; for 2h; Heating;

DOI:10.1248/cpb.42.2633

Reference yield:

vanillin (121-33-5,8014-42-4) → piperoin (4720-82-5) + Piperil (4720-66-5)

Guidance literature:

With Ce_0.2Zr_0.2La_0.2Pr_0.2Y_0.2O₂; benzoic acid; In acetonitrile; Overall yield = 60 percent; Schlenk technique; Reflux;

DOI:10.3390/molecules26206115

upstream raw materials:

piperonal

Piperil

α-benzoyloxy-3,4;3',4'-bis-methylenedioxy-deoxybenzoin

pyridine

Downstream raw materials:

Piperil

α-benzoyloxy-3,4;3',4'-bis-methylenedioxy-deoxybenzoin

1,2-bis-benzo[1,3]dioxol-5-yl-4-phenyl-butane-1,4-dione

3,4-methylenedioxybenzyl 3,4-methylenedioxyphenyl ketone

Refernces

• 1、 Dinjar, Kristijan,Djerdj, Igor,Koj?inovi?, Jelena,Kukovecz, ákos,Markovi?, Berislav,Mileti?, Aleksandar,Nagy, Sándor Balázs,Sapi, Andras,Stenzel, David,Széchenyi, Aleksandar,Szenti, Imre,Tang, Yushu,Tatar, Dalibor,Varga, Gábor,Ziegenheim, Szilveszter. "Sol-gel synthesis of ceria-zirconia-based high-entropy oxides as high-promotion catalysts for the synthesis of 1,2-diketones from aldehyde". . . Retrieved 2021/10/20.
• 2、 Liu, Yongjun,Wang, Hui,Fu, Yulong,Qi, Yan,Yang, Kuiwei. "Unexpected transformation of aldehydes into benzoins with Copper(I)/Samarium". . p. 259 - 266. Retrieved 2013/12/04.