3,5-Dichloropyridine

Base Information

• Chemical Name: 3,5-Dichloropyridine
• CAS No.: 2457-47-8
• Molecular Formula: C5H3Cl2N
• Molecular Weight: 147.992
• Hs Code.: 29333990
• European Community (EC) Number: 219-537-9
• NSC Number: 60546
• UNII: D9K92ASQ4D
• DSSTox Substance ID: DTXSID60179307
• Nikkaji Number: J51.305I
• Wikidata: Q72467888
• Mol file: 2457-47-8.mol

Synonyms:3,5-DICHLOROPYRIDINE;2457-47-8;Pyridine, 3,5-dichloro-;CCRIS 1719;EINECS 219-537-9;NSC 60546;BRN 0001973;D9K92ASQ4D;NSC-60546;5-20-05-00417 (Beilstein Handbook Reference);NSC60546;MFCD00006376;3.5-Dichloropyridine;3,5-dichloro pyridine;3,5-dichloro-pyridine;UNII-D9K92ASQ4D;WLN: T6NJ CG EG;3,5-Dichloropyridine, 98%;SCHEMBL197638;AMY5197;DTXSID60179307;BCP05054;STL570178;AKOS005256831;AB00743;CS-W016343;FG-0510;AC-24483;LS-131364;A5045;D0411;FT-0614576;EN300-84253;W-107302

Chemical Property of 3,5-Dichloropyridine

Chemical Property:

• Appearance/Colour: White to yellow powder
• Vapor Pressure: 1.79E-14mmHg at 25°C
• Melting Point: 65-67 °C
• Refractive Index: 1.777
• Boiling Point: 173.7 °C at 760 mmHg
• PKA: 0.32±0.10(Predicted)
• Flash Point: 73.4 °C
• PSA: 12.89000
• Density: 1.388 g/cm³
• LogP: 2.38840
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.9642545
• Heavy Atom Count: 8
• Complexity: 68.8

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dichloropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41-36/37/38
• Safety Statements: 26-39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: C1=C(C=NC=C1Cl)Cl
• Uses: 3,5-Dichloropyridine (cas# 2457-47-8) is a compound useful in organic synthesis.

Technology Process of 3,5-Dichloropyridine

There total 34 articles about 3,5-Dichloropyridine 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: 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

Reference yield: 87.3%

2,3,5-trichloropyridine (16063-70-0) → 3,5-dichloropyridine (2457-47-8)

Guidance literature:

With acetic acid; zinc; In water; at 65 - 95 ℃; for 1 - 5.25h; Product distribution / selectivity;

Reference yield: 73.0%

lithioacetonitrile (99749-00-5) + 3,5-dichloropyridine-4-carbonitrile (153463-65-1) → 3,5-dichloropyridine (2457-47-8) + 3,5-dichloro-4-pyridylacetonitrile

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.0833333h;

DOI:10.3987/com-01-9303

upstream raw materials:

3-HYDROXYPYRIDINE

2-methoxy-3,4-dihydro-2H-pyran

5-chloropyridin-3-amine

3,5-dichloropyridine-2-carboxylic acid

Downstream raw materials:

3,5-dichloro-4-picoline

3-(5-chloropyridin-3-ylethynyl)-benzonitrile

3,5-dichloropyridine-4-carboxylic acid

ethyl 2-(3,5-dichloropyridin-4-yl)-2-oxoacetate

Refernces

• 1、 -. "Chemical process". Page/Page column 2-3. . Retrieved 2008/06/13.
• 2、 Davies,Marcoux,Corley,Journet,Cai,Palucki,Wu,Larsen,Rossen,Pye,DiMichele,Dormer,Reider. "A practical synthesis of a COX-2-specific inhibitor". . p. 8415 - 8420. Retrieved 2007/10/03.