3,6-Dichloropicolinaldehyde

Base Information

• Chemical Name: 3,6-Dichloropicolinaldehyde
• CAS No.: 343781-53-3
• Molecular Formula: C₆H₃Cl₂NO
• Molecular Weight: 176.002
• Hs Code.: 2933399090
• European Community (EC) Number: 640-274-4
• DSSTox Substance ID: DTXSID60445312
• Nikkaji Number: J1.537.730E
• Wikidata: Q72467954
• Mol file: 343781-53-3.mol

Synonyms:3,6-Dichloropicolinaldehyde;343781-53-3;3,6-dichloropyridine-2-carbaldehyde;3,6-DICHLORO-2-PYRIDINECARBOXALDEHYDE;2,5-Dichloropyridine-6-carboxaldehyde;3,6-Dichloropyridine-2-carboxaldehyde;MFCD12963768;2-PYRIDINECARBOXALDEHYDE, 3,6-DICHLORO-;SCHEMBL2654910;AMY7918;DTXSID60445312;AXJGZYKXECWPOM-UHFFFAOYSA-N;2,5-Dichloropyridine-6-Carboxalehyde;3,6-Dichloro-pyridine-2-carbaldehyde;AKOS006343037;AB66502;CS-W021824;PS-5028;AC-33338;SY022261;3,6-DICHLORO-2-PYRIDINECARBALDEHYDE;A6055;FT-0652164;EN300-2008746

Chemical Property of 3,6-Dichloropicolinaldehyde

Chemical Property:

• Vapor Pressure: 0.054mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 234.178 °C at 760 mmHg
• PKA: -1.60±0.10(Predicted)
• Flash Point: 95.428 °C
• PSA: 29.96000
• Density: 1.489 g/cm³
• LogP: 2.20090
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.9591691
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

98% ^*data from raw suppliers

3,6-Dichloropicolinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC(=C1Cl)C=O)Cl

Technology Process of 3,6-Dichloropicolinaldehyde

There total 2 articles about 3,6-Dichloropicolinaldehyde 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: 80.0%

2,5 dichloropyridine (16110-09-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3,6-dichloro-2-pyridinecarbaldehyde (343781-53-3)

Guidance literature:

2,5 dichloropyridine; With tert.-butyl lithium; In diethyl ether; pentane; at -100 ℃; for 6h;

N,N-dimethyl-formamide; In diethyl ether; pentane; at -100 - -75 ℃; for 1h;

DOI:10.1002/1099-0690(200104)2001:7<1371::AID-EJOC1371>3.0.CO;2-E

Reference yield:

Clopyralid (1702-17-6) → 3,6-dichloro-2-pyridinecarbaldehyde (343781-53-3)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -60 ℃; for 3h; Concentration;

Reference yield:

2-cyano-N-(1-(4-(2-morpholinoethoxy)phenyl)butyl)acetamide (1369406-31-4) + 3,6-dichloro-2-pyridinecarbaldehyde (343781-53-3) → (E)-2-cyano-3-(3,6-dichloropyridin-2-yl)-N-(1-(4-(2-morpholinoethoxy)phenyl)butyl)acrylamide (1699750-95-2)

Guidance literature:

With 3-amino propanoic acid; In ethanol; water; at 20 ℃; for 18h; Inert atmosphere;

upstream raw materials:

2,5 dichloropyridine

N,N-dimethyl-formamide

Clopyralid

Downstream raw materials:

(E)-2-cyano-3-(3,6-dichloropyridin-2-yl)-N-(1-(4-(2-morpholinoethoxy)phenyl)butyl)acrylamide

Refernces

• 1、 -. "MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO". Page/Page column 130-131. . Retrieved 2008/06/13.