4-Chloro-2,3-dimethylpyridine 1-oxide

Base Information

• Chemical Name: 4-Chloro-2,3-dimethylpyridine 1-oxide
• CAS No.: 59886-90-7
• Molecular Formula: C7H8ClNO
• Molecular Weight: 157.6
• Hs Code.: 29333990
• European Community (EC) Number: 611-910-8
• NSC Number: 275262
• Nikkaji Number: J1.632.223G
• Wikidata: Q72449607
• Mol file: 59886-90-7.mol

Synonyms:59886-90-7;4-CHLORO-2,3-DIMETHYLPYRIDINE 1-OXIDE;4-chloro-2,3-dimethylpyridine n-oxide;4-Chloro-2,3-dimethylpyridine-N-oxide;4-Chloro-2,3-dimethyl-pyridine 1-oxide;4-Chloro-2,3-dimethyl-1-oxidopyridin-1-ium;Pyridine, 4-chloro-2,3-dimethyl-, 1-oxide;4-Chloro-2,3-dimethylpyridine1-oxide;2,3-DIMETHYL-4-CHLOROPYRIDINEN-OXIDE;2,3-Dimethyl-4-chloropyridine N-oxide;2,3-DIMETHYL 4-CHLORO PYRIDINE N-OXIDE;4-chloro-2,3-dimethylpyridin-1-ium-1-olate;SCHEMBL712432;MCUYHRNUDDANSO-UHFFFAOYSA-N;AMY14652;BCP14823;MFCD06411125;NSC275262;4-chlor-2,3-dimethylpyridine-N-oxide;AKOS006293605;4-chlor-2,3-dimethylpyridine-1-oxide;NSC-275262;SB37866;2,3-Dimethyl-4-chloropyridine 1-oxide;2,3-dimethyl-4-chloro-pyridine N-oxide;201605-38-1;AC-15813;AS-10877;A8397;C2820;FT-0602429;EC 611-910-8;4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium =;EN300-1068098;J-514920;4-chloro-2,3-dimethylpyridine 1-oxide

Chemical Property of 4-Chloro-2,3-dimethylpyridine 1-oxide

Chemical Property:

• Appearance/Colour: Pale Yellow Solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 103-105 °C
• Refractive Index: 1.537
• Boiling Point: 338.459 °C at 760 mmHg
• PKA: 1.28±0.10(Predicted)
• Flash Point: 158.495 °C
• PSA: 25.46000
• Density: 1.192 g/cm³
• LogP: 2.38530
• Storage Temp.: Room temperature.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.0294416
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2,3-dimethylpyridine N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C[N+](=C1C)[O-])Cl
• Uses: An intermediate in the synthesis of rabeprazole (R070500).

Technology Process of 4-Chloro-2,3-dimethylpyridine 1-oxide

There total 5 articles about 4-Chloro-2,3-dimethylpyridine 1-oxide 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%

2,3-dimethyl-4-nitropyridine N-oxide (37699-43-7) → 4-chloro-2,3-dimethylpyridine-N-oxide (59886-90-7)

Guidance literature:

With acetyl chloride; In ethanol; at 65 ℃; for 5h;

Reference yield: 96.0%

2,3-dimethyl-4-nitropyridine N-oxide (37699-43-7) + acetyl chloride (75-36-5) → 4-chloro-2,3-dimethylpyridine-N-oxide (59886-90-7)

Guidance literature:

2,3-dimethyl-4-nitropyridine N-oxide; acetyl chloride; In ethanol; at 65 ℃; Large scale reaction;

With sodium hydroxide; In ethanol; water; toluene; pH=7.5 - 8.5; Large scale reaction;

DOI:10.1021/op9003357

Reference yield: 49.0%

2,3-dimethylpyridine 1-oxide (22710-07-2,166521-76-2) → 4-chloro-2,3-dimethylpyridine-N-oxide (59886-90-7)

Guidance literature:

2,3-dimethylpyridine 1-oxide; With chlorine; In dichloromethane; at 25 ℃; for 1.5h; Green chemistry;

With sodium hydroxide; In dichloromethane; at 25 ℃; Green chemistry;

DOI:10.13005/ojc/330244

upstream raw materials:

2,3-dimethyl-4-nitropyridine N-oxide

2,3-dimethylpyridine 1-oxide

acetyl chloride

2,3-Lutidine

Downstream raw materials:

4-Allyloxy-2,3-dimethyl-pyridine 1-oxide

4-butoxy-2,3-dimethylpyridine-1-oxide

4-methoxy-2,3-dimethylpyridine 1-oxide

4-nonyloxy-2,3-dimethylpyridine-N-oxide

Refernces

• 1、 -. "CXCR4 INHIBITORS AND USES THEREOF". Paragraph 00452; 00453. . Retrieved 2018/04/11.
• 2、 Sharada,Satyanarayana Reddy,Sammaiah,Sumalatha. "Diversified synthesis of novel quinoline and dibenzo thiazepine derivatives using known active intermediates". . p. 7959 - 7966. Retrieved 2013/09/23.