2,3-Dichloro-1,4-dioxane

Base Information

• Chemical Name: 2,3-Dichloro-1,4-dioxane
• CAS No.: 95-59-0
• Molecular Formula: C4H6Cl2O2
• Molecular Weight: 156.996
• Hs Code.: 2923900090
• European Community (EC) Number: 202-435-3,630-990-5
• NSC Number: 2293
• DSSTox Substance ID: DTXSID2048113
• Nikkaji Number: J79.441D
• Mol file: 95-59-0.mol

Synonyms:2,3-DICHLORO-1,4-DIOXANE;2,3-Dichloro-p-dioxane;95-59-0;1,4-Dioxane, 2,3-dichloro-;p-Dioxane, 2,3-dichloro-;2,5-Dichloro-p-dioxane;HSDB 5292;NSC 2293;EINECS 202-435-3;AI3-26714;3883-43-0;(2R,3R)-rel-2,3-Dichloro-1,4-dioxane;1,4-Dioxane, trans-2,3-dichloro-;NSC2293;1,4-Dioxane, 2,3-dichloro-, trans-;p-DIOXANE, 2,3-DICHLORO-, trans-;2,3-dichlorodioxane;p-Dioxane,3-dichloro-;Dichlorodioxane (2,3);UNII-V0S1XQ53TC;2,3-dichlor-1,4-dioxan;V0S1XQ53TC;SCHEMBL2941820;DTXSID2048113;ZOZUXFQYIYUIND-UHFFFAOYSA-;NSC-2293;MFCD00023827;AKOS006229279;NS-01220;FT-0631488;FT-0691368;F2167-7141

Chemical Property of 2,3-Dichloro-1,4-dioxane

Chemical Property:

• Vapor Pressure: 0.209mmHg at 25°C
• Melting Point: 30°C
• Refractive Index: 1.47
• Boiling Point: 216.1 °C at 760 mmHg
• Flash Point: 93.9 °C
• PSA: 18.46000
• Density: 1.38 g/cm³
• LogP: 1.16300
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 155.9744848
• Heavy Atom Count: 8
• Complexity: 68.4

Purity/Quality:

99% ^*data from raw suppliers

2,3-DICHLORO-P-DIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: C1COC(C(O1)Cl)Cl
• Uses: 2,3-Dichloro-1,4-dioxane is an intermediate in the synthesis of 4-(2-Aminophenyl)-3-morpholinone (A625985). 4-(2-Aminophenyl)-3-morpholinone is a reagent used in the preparation of various Morpholine based pharmaceuticals.

Technology Process of 2,3-Dichloro-1,4-dioxane

There total 17 articles about 2,3-Dichloro-1,4-dioxane 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: 72.0%

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) → 2,3-dichloro-1,4-dioxane (95-59-0)

Guidance literature:

With sulfuryl dichloride; at 60 ℃; for 18h;

DOI:10.3987/COM-00-S(I)79

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) → trans-2,3-dichloro-1,4-dioxane (95-59-0,3883-42-9,3883-43-0)

Guidance literature:

With chlorine; at 90 ℃;

DOI:10.1039/jr9330001598

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) → cis-2,3-dichloro-1,4-dioxane (3883-42-9) + trans-2,3-dichloro-1,4-dioxane (95-59-0,3883-42-9,3883-43-0)

Guidance literature:

With chlorine; at 70 - 130 ℃;

DOI:10.1021/ja01574a056

upstream raw materials:

1,4-dioxane

1,4-dioxene

trans-2,3-dichloro-1,4-dioxane

thionyl chloride

Downstream raw materials:

2,3-bis-(4-nitro-phenoxy)-[1,4]dioxane

Glyoxal

ethylene glycol

cis-2,3-diphenyl-[1,4]dioxane

Refernces

Biotransformation of desoxypeganine by microsomal enzymes of the rabbit liver

10.1002/ardp.200400921

The research details an in vitro study on the biotransformation of Desoxypeganine, an anticholinergic quinazoline alkaloid, by rabbit liver microsomal enzymes. The purpose of the study was to investigate the metabolic pathways and kinetics of Desoxypeganine, which has therapeutic potential for Alzheimer's disease, alcoholism, and nicotine dependence. The researchers used aerobic incubation with rabbit liver homogenates as the enzyme source, supplemented with NADPH, and identified metabolites through high-performance liquid chromatography and mass spectrometry. The main conclusion was that Desoxypeganine is readily oxidized to its inactive metabolite Pegenone, which poses a challenge for dosage in pharmaceutical formulations. Key chemicals used in the process included Desoxypeganine, Pegenone, Vasicinone, Isovasicinone, NADPH, and various buffer solutions for the incubation and extraction steps.

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