6-Chloropiperonyl chloride

Base Information

• Chemical Name: 6-Chloropiperonyl chloride
• CAS No.: 23468-31-7
• Molecular Formula: C8H6 Cl2 O2
• Molecular Weight: 205.04
• Hs Code.: 29329990
• European Community (EC) Number: 245-678-0
• NSC Number: 31302
• DSSTox Substance ID: DTXSID50178021
• Nikkaji Number: J228.973C
• Wikidata: Q83048356
• Mol file: 23468-31-7.mol

Synonyms:6-Chloropiperonyl chloride;23468-31-7;5-chloro-6-(chloromethyl)-1,3-benzodioxole;5-chloro-6-(chloromethyl)benzo[d][1,3]dioxole;1,3-Benzodioxole, 5-chloro-6-(chloromethyl)-;EINECS 245-678-0;AI3-31369;NSC31302;5-chloro-6-chloromethyl-benzo[1,3]dioxole;SCHEMBL1041822;DTXSID50178021;MFCD00005822;NSC 31302;NSC-31302;STL182764;AKOS015889585;AS-66831;5-chloro-6-(chloromethyl)-1,3-dioxaindane;FT-0621088;FT-0621089;EN300-343810;F81531;5-chloro-6-(chloromethyl)-2H-1,3-benzodioxole;J-015120

Chemical Property of 6-Chloropiperonyl chloride

Chemical Property:

• Vapor Pressure: 0.00301mmHg at 25°C
• Melting Point: 64-66 °C(lit.)
• Boiling Point: 293.5°Cat760mmHg
• Flash Point: 123.9°C
• PSA: 18.46000
• Density: 1.461g/cm³
• LogP: 2.80750
• Storage Temp.: Refrigerator (+4°C)
• Water Solubility.: Insoluble in water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

6-Chloropiperonylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)CCl)Cl
• Uses: 6-Chloropiperonyl chloride is used as pharmaceutical intermediates.

Technology Process of 6-Chloropiperonyl chloride

There total 3 articles about 6-Chloropiperonyl 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:

6-chloro-3,4-methylenedioxybenzyl alcohol (2591-25-5) → 6-chloropiperonyl chloride (23468-31-7)

Guidance literature:

With hydrogenchloride; benzene;

DOI:10.1039/jr9380001780

Reference yield:

6-chloropiperonal (15952-61-1) → 6-chloropiperonyl chloride (23468-31-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

2: benzene; hydrogen chloride

With hydrogenchloride; sodium hydroxide; benzene;

DOI:10.1039/jr9380001780

Reference yield:

→ 6-chloropiperonyl chloride (23468-31-7)

Guidance literature:

DOI:10.1021/ja00842a031

upstream raw materials:

6-chloro-3,4-methylenedioxybenzyl alcohol

6-chloropiperonal

Downstream raw materials:

ethyl 2-[[4-methoxybenzenesulfonyl](6-chloropiperonyl)amino]acetate