3,5-Dichloro-4-pyridinecarboxaldehyde

Base Information

• Chemical Name: 3,5-Dichloro-4-pyridinecarboxaldehyde
• CAS No.: 136590-83-5
• Molecular Formula: C6H3Cl2NO
• Molecular Weight: 176.002
• Hs Code.: 2933399090
• European Community (EC) Number: 628-540-8
• DSSTox Substance ID: DTXSID80376639
• Nikkaji Number: J2.703.094G
• Wikidata: Q72467958
• Mol file: 136590-83-5.mol

Synonyms:136590-83-5;3,5-Dichloro-4-pyridinecarboxaldehyde;3,5-dichloroisonicotinaldehyde;3,5-dichloropyridine-4-carbaldehyde;3,5-DICHLOROPYRIDINE-4-CARBOXALDEHYDE;4-Pyridinecarboxaldehyde, 3,5-dichloro-;3,5-dichloro-4-pyridinecarbaldehyde;MFCD04039921;3,5-Dichloro-4-formylpyridine;3,5-DICHLORO-4-FORMYL PYRIDINE;SCHEMBL320672;3,5-dichloropyridine-4-aldehye;3,5-dichloro-4-formyl-pyridine;4-formyl-3,5-dichloro-pyridine;AMY7917;DTXSID80376639;RBFNWOINNIOZKR-UHFFFAOYSA-N;BCP23845;3,5-dichloro-pyridin-4-carbaldehyde;3,5-dichloropyridine4-carboxaldehyde;BBL101770;STL555567;3,5-dichloro-pyridine-4-carbaldehyde;AKOS008901299;AB17460;CS-W017426;4-pyridinecarboxaldehyde,3,5-dichloro-;AC-22852;DS-12472;SY015055;3,5-Dichloro-4-pyridinecarboxaldehyde, 97%;D5790;FT-0645795;A24690;EN300-109723;Y10501;J-511309;Z1255465715

Chemical Property of 3,5-Dichloro-4-pyridinecarboxaldehyde

Chemical Property:

• Vapor Pressure: 0.0341mmHg at 25°C
• Melting Point: 75-79 °C(lit.)
• Refractive Index: 1.608
• Boiling Point: 242.4 °C at 760 mmHg
• PKA: -0.42±0.10(Predicted)
• Flash Point: 100.4 °C
• PSA: 29.96000
• Density: 1.488 g/cm³
• LogP: 2.20090
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• 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: 121

Purity/Quality:

98% ^*data from raw suppliers

3,5-Dichloro-4-pyridinecarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C=N1)Cl)C=O)Cl

Technology Process of 3,5-Dichloro-4-pyridinecarboxaldehyde

There total 10 articles about 3,5-Dichloro-4-pyridinecarboxaldehyde 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: 91.0%

3,5-dichloro-4-hydroxymethylpyridine (159783-46-7) → 3,5-dichloropyridine-4-carboxaldehyde (136590-83-5)

Guidance literature:

With pyridine; 1-chloro-1λ³-benzo[d][1,2]iodaoxol-3(1H)-one; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In ethyl acetate; at 20 ℃; for 6h;

DOI:10.1055/s-0028-1087850

Reference yield: 90.0%

Methyl formate (107-31-3) + 3,5-dichloropyridine (2457-47-8) → 3,5-dichloropyridine-4-carboxaldehyde (136590-83-5)

Guidance literature:

3,5-dichloropyridine; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h;

Methyl formate; In tetrahydrofuran; at -78 ℃; for 1.4h; Further stages.;

DOI:10.1021/jm000452m

Reference yield: 77.0%

3,5-dichloropyridine (2457-47-8) → 3,5-dichloropyridine-4-carboxaldehyde (136590-83-5)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; N-methyl-acetamide;

upstream raw materials:

3,5-dichloropyridine

formic acid ethyl ester

N,N-dimethyl-formamide

Methyl formate

Downstream raw materials:

3-(biphenyl-4-ylsulfanyl)-5-chloro-pyridine-4-carbaldehyde

3-chloro-5-(2,4-dimethyl-phenylsulfanyl)-pyridine-4-carbaldehyde

3-chloro-5-(3,4-dimethyl-phenylsulfanyl)-pyridine-4-carbaldehyde

3-chloro-5-(4-trifluoromethyl-phenylsulfanyl)-pyridine-4-carbaldehyde

Refernces

• 1、 Li, Xiao-Qiang,Zhang, Chi. "An environmentally benign TEMPO-catalyzed efficient alcohol oxidation system with a recyclable hypervalent iodine(III) reagent and its facile preparation". experimental part. p. 1163 - 1169. Retrieved 2009/12/05.
• 2、 -. "FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF". . . Retrieved 2008/06/13.