2,6-Dichloroisonicotinaldehyde

Base Information

• Chemical Name: 2,6-Dichloroisonicotinaldehyde
• CAS No.: 113293-70-2
• Molecular Formula: C6H3Cl2NO
• Molecular Weight: 176.002
• Hs Code.: 29333990
• European Community (EC) Number: 674-341-4
• DSSTox Substance ID: DTXSID80375485
• Nikkaji Number: J403.465A
• Wikidata: Q72467964
• Mol file: 113293-70-2.mol

Synonyms:113293-70-2;2,6-dichloroisonicotinaldehyde;2,6-Dichloropyridine-4-carboxaldehyde;2,6-dichloropyridine-4-carbaldehyde;2,6-dichloro-4-pyridinecarboxaldehyde;4-Pyridinecarboxaldehyde, 2,6-dichloro-;2,6-Dichloro-4-formyl pyeidine;2,6-Dichloro-4-pyridinecarbaldehyde;MFCD00124816;SCHEMBL1125509;2,6-dichloro-4-formyl pyridine;DTXSID80375485;MVCMPKYZHKUBCL-UHFFFAOYSA-N;(2,6-dichloro-4-pyridyl)methanal;AMY24754;2,6-Dichloro-pyridine-4-carbaldehyde;AKOS006220972;2,6-Dichloropyrridine-4-carboxaldehyde;AB03506;GF-0706;2,6-Dichloro-4-pyridinecarboxaldehyde, 95%;CS-0091259;FT-0646864;C71441;EN300-142175;J-400215

Chemical Property of 2,6-Dichloroisonicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.005mmHg at 25°C
• Melting Point: 47-48 °C
• Refractive Index: 1.608
• Boiling Point: 276.685 °C at 760 mmHg
• PKA: -4.39±0.10(Predicted)
• Flash Point: 121.135 °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: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.9591691
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

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

2,6-Dichloropyridine-4-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dichloroisonicotinaldehyde

There total 10 articles about 2,6-Dichloroisonicotinaldehyde 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%

(2,6-dichloropyridin-4-yl)methanol (101990-69-6) → 2,6-dichloropyridine-4-carbaldehyde (113293-70-2)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/acsmedchemlett.8b00631

Reference yield: 90.0%

2,6-dichloropyridine (2402-78-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,6-dichloropyridine-4-carbaldehyde (113293-70-2)

Guidance literature:

2,6-dichloropyridine; With N-tetramethylpiperidine magnesium chloride; lithium chloride; In tetrahydrofuran; at 25 ℃; for 0.1h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -30 ℃;

DOI:10.1002/anie.200504024

Reference yield: 90.0%

→ 2,6-dichloropyridine-4-carbaldehyde (113293-70-2)

Guidance literature:

upstream raw materials:

2,6-dichloroisonicotinoyl chloride

N-Formylpiperidine

2,6-dichloropyridine

(2,6-dichloropyridin-4-yl)methanol

Downstream raw materials:

C₂₀H₁₉N₃O₅S₂

tert-butyl 4-(4-(7-chloro-4-oxo-3,4-dihydropyrido[3,4-d]pyridazin-5-ylamino)-3-methoxyphenyl)piperazine-1-carboxylate

tert-butyl-4-(4-(7-(2,6-dichlorophenylamino)-4-oxo-3,4-dihydropyrido[3,4-d]pyridazin-5-ylamino)-3-methoxyphenyl)piperazine-1-carboxylate

7-[(2,6-dichlorophenyl)amino]-5-{[2-methoxy-4-(piperazin-1-yl)phenyl]amino}pyrido[3,4-d]pyridazin-4-ol mono-trifluoroacetate

Refernces

• 1、 -. "2 Tyrosine kinase mediated signal transduction inhibitors". Paragraph 0399; 0400; 0402; 0600-0602. . Retrieved 2019/09/17.
• 2、 -. "PREPARATION AND USE OF MAGNESIUM AMIDES". Page/Page column 27. . Retrieved 2008/12/07.