3 5-DICHLOROPYRIDINE 1-OXIDE 98

Base Information

• Chemical Name: 3 5-DICHLOROPYRIDINE 1-OXIDE 98
• CAS No.: 15177-57-8
• Molecular Formula: C5H3 Cl2 N O
• Molecular Weight: 163.991
• Hs Code.: 29333990
• European Community (EC) Number: 625-109-6
• NSC Number: 123596
• DSSTox Substance ID: DTXSID20298508
• Nikkaji Number: J348.049F
• Wikidata: Q72468009
• Mol file: 15177-57-8.mol

Synonyms:3,5-Dichloropyridine1-oxide; 3,5-Dichloropyridine N-oxide; NSC 123596

Chemical Property of 3 5-DICHLOROPYRIDINE 1-OXIDE 98

Chemical Property:

• Melting Point: 110-113 °C(lit.)
• Boiling Point: 344.2°Cat760mmHg
• PKA: -0.72±0.10(Predicted)
• Flash Point: 162°C
• PSA: 25.46000
• Density: 1.47g/cm³
• LogP: 2.42190
• Storage Temp.: Room temperature.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.9591691
• Heavy Atom Count: 9
• Complexity: 91

Purity/Quality:

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

3,5-Dichloropyridine1-oxide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=[N+](C=C1Cl)[O-])Cl

Technology Process of 3 5-DICHLOROPYRIDINE 1-OXIDE 98

There total 2 articles about 3 5-DICHLOROPYRIDINE 1-OXIDE 98 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: 96.0%

3,5-dichloropyridine (2457-47-8) → 3,5-dicholoropyridine N-oxide (15177-57-8)

Guidance literature:

With peracetic acid; In chloroform; acetic acid; at 50 ℃; for 67h;

Reference yield:

→ 3,5-dicholoropyridine N-oxide (15177-57-8)

Guidance literature:

DOI:10.1039/J29670001235 DOI:10.1039/J29670001211

Reference yield: 95.0%

3,5-dicholoropyridine N-oxide (15177-57-8) → 3,5-dichloropyridine (2457-47-8)

Guidance literature:

With 2,3-dimethyl-2,3-butane diol; bis(N,N-dimethylformamide)dichloridodioxidomolybdenum(VI); In N,N-dimethyl acetamide; at 130 ℃; chemoselective reaction; Microwave irradiation; Sealed tube; Green chemistry;

DOI:10.1002/adsc.201700071

upstream raw materials:

3,5-dichloropyridine

Downstream raw materials:

6-chloro-2-phenyl-furo[3,2-b]pyridine-3-carbonitrile

7-chloro-2-phenyl-furo[3,2-c]pyridine-3-carboxylic acid methyl ester

6-chloro-2-phenyl-furo[3,2-b]pyridine-3-carboxylic acid methyl ester

7-chloro-furo[3,2-c]pyridine-2,3-dicarboxylic acid dimethyl ester

Refernces

• 1、 -. "ANIONS AND DERIVED SALTS WITH HIGH DISSOCIATION IN NON-PROTOGENIC SOLVENTS". Page/Page column 5; 6. . Retrieved 2013/06/05.
• 2、 Chambers, Richard D.,Hall, Christopher W.,Hutchinson, John,Millar, Ross W.. "Polyhalogenated heterocyclic compounds. Part 42. Fluorinated nitrogen heterocycles with unusual substitution patterns". . p. 1705 - 1713. Retrieved 2007/10/03.