Piperonyl chloride

Base Information

• Chemical Name: Piperonyl chloride
• CAS No.: 20850-43-5
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 2932999099
• NSC Number: 127686
• DSSTox Substance ID: DTXSID0066660
• Nikkaji Number: J25.381B
• Wikidata: Q72501067
• Mol file: 20850-43-5.mol

Synonyms:Piperonyl chloride;20850-43-5;5-(Chloromethyl)benzo[d][1,3]dioxole;5-(Chloromethyl)-1,3-benzodioxole;3,4-Methylenedioxybenzyl chloride;1,3-Benzodioxole, 5-(chloromethyl)-;4-Chloromethyl-1,2-methylenedioxybenzene;3,4-(Methylenedioxy)benzyl chloride;MFCD00044328;Piperonyl Chloride (~75per cent by weight in CH2Cl2);piperonylchloride;3,4-Methylenedioxybenzyl chloride (50% by weight in methylene chloride);5-(Chloromthyl)-1,3-benzodioxole;Piperonylchlorid;1, 5-(chloromethyl)-;SCHEMBL50478;Toluene,4-(methylenedioxy)-;DTXSID0066660;5-chloromethyl-1,3-benzodioxole;3,4 methylenedioxybenzyl chloride;5-chloromethyl benzo[1,3]dioxol;AMY6596;5-Chloromethyl-benzo[1,3]dioxole;5-(chloromethyl)-1,3-dioxaindane;BCP33403;STR07577;EINECS 244-081-2;NSC127686;AKOS000116996;benzo[1,3]dioxol-5-ylmethyl chloride;NSC 127686;NSC-127686;SY024488;[(3,4-methylendioxy)phenyl]methyl chloride;AM20030322;FT-0619698;EN300-07526;Toluene, alpha-chloro-3,4-(methylenedioxy)-;D94609;Toluene, .alpha.-chloro-3,4-(methylenedioxy)-;A814971;J-013675;J-523978;Z57983107;3,4-(Methylenedioxy)benzyl chloride 50% in Methylene chloride;3,4-Methylenedioxybenzyl chloride(50% by weight in methylene chloride);5-(Chloromethyl)benzo[d][1,3]dioxole pound>>3,4-Methylenedioxybenzyl chloride;3,4-Methylenedioxybenzyl chloride 50% by weight in Methylene chloride contains calcium carbonate as stabilizer

Chemical Property of Piperonyl chloride

Chemical Property:

• Appearance/Colour: Colorless liquid.
• Vapor Pressure: 0.931mmHg at 25°C
• Melting Point: 20.5°C
• Refractive Index: 1.577
• Boiling Point: 257.387 °C at 760 mmHg
• Flash Point: 115.921 °C
• PSA: 18.46000
• Density: 1.33 g/cm³
• LogP: 2.15410
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive/Lachrymatory
• Solubility.: Chloroform, Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

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

Piperonyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CCl
• Uses: Piperonyl Chloride is used as a reagent in the synthesis of anti-proliferative hydroxyguanidine compounds.

Technology Process of Piperonyl chloride

There total 14 articles about Piperonyl chloride 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: 100.0%

piperonol (495-76-1) → 5-(chloromethyl)-1,3-benzodioxole (20850-43-5)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide; at 20 ℃; for 0.333333h; chemoselective reaction;

DOI:10.1055/s-0028-1083243

Reference yield: 94.0%

Methylenedioxybenzene (274-09-9) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 5-(chloromethyl)-1,3-benzodioxole (20850-43-5)

Guidance literature:

With hydrogenchloride; cetyltrimethylammonim bromide; phosphorus trichloride; In water; at 70 ℃; for 0.05h; Temperature; Reagent/catalyst;

Reference yield: 75.5%

5-methyl-1,3-benzodioxole (7145-99-5) → 5-(chloromethyl)-1,3-benzodioxole (20850-43-5)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 0.5h;

upstream raw materials:

Methylenedioxybenzene

piperonol

hydrogenchloride

benzene

Downstream raw materials:

4-(Benzo[1,3]dioxol-5-ylmethoxy)-2-hydroxy-benzoic acid methyl ester

4-(1,3-Benzodioxol-5-ylmethoxy)-2-hydroxybenzonitrile

5-({2-[2-(3-methoxyphenyl)ethyl]phenoxy}methyl)1,3-benzodioxole

Refernces

• 1、 Marguerit, Melanie,Little, Gill,Wang, Yi,He, Linli,Allwein, Shawn,Reif, James,Rossi, Jason,Roemmele, Renee,Bakale, Roger. "Total Synthesis of [14C]-Labelled Homoharringtonine". . p. 8003 - 8010. Retrieved 2015.
• 2、 -. "Method for synthesizing piperonyl chloride through continuous flow reaction". Paragraph 0035-0076. . Retrieved 2021/05/01.
• 3、 -. "AN EFFICIENT AND ENVIRONMENT FRIENDLY PROCESS FOR CHLOROMETHYLATION OF SUBSTITUTED BENZENES". Paragraph 0064-0074; 0080. . Retrieved 2020/12/30.