5-Chloro-2-formylpyridine

Base Information

• Chemical Name: 5-Chloro-2-formylpyridine
• CAS No.: 31181-89-2
• Molecular Formula: C6H4ClNO
• Molecular Weight: 141.557
• Hs Code.: 2933399090
• European Community (EC) Number: 695-967-4
• DSSTox Substance ID: DTXSID50435560
• Wikidata: Q72458470
• Mol file: 31181-89-2.mol

Synonyms:31181-89-2;5-CHLORO-2-FORMYLPYRIDINE;5-chloropyridine-2-carbaldehyde;5-Chloropicolinaldehyde;5-Chloropyridine-2-carboxaldehyde;5-CHLORO-2-PYRIDINECARBOXALDEHYDE;5-Chloro-2-pyridinecarbaldehyde;2-Pyridinecarboxaldehyde, 5-chloro-;MFCD08277271;5-Chloro-pyridine-2-carbaldehyde;5-chloro-2-formyl pyridine;SCHEMBL733566;DTXSID50435560;YYLBDBOSXXSZQQ-UHFFFAOYSA-N;BBL102737;STL556543;AKOS005072337;5-chloro-2-formylpyridine, AldrichCPR;AB44880;CS-W003503;ED-0722;5-Chloropyridine-2-carboxaldehyde, 97%;AC-27888;SY022271;A5652;AM20070226;C3000;FT-0649982;EN300-383915;J-018271;J-517410;Z1198177123

Chemical Property of 5-Chloro-2-formylpyridine

Chemical Property:

• Vapor Pressure: 0.22mmHg at 25°C
• Melting Point: 66-68 °C
• Refractive Index: 1.593
• Boiling Point: 207.907 °C at 760 mmHg
• PKA: 1.44±0.10(Predicted)
• Flash Point: 79.54 °C
• PSA: 29.96000
• Density: 1.332 g/cm³
• LogP: 1.54750
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.9981414
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-formylpyridine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Chloro-2-formylpyridine

There total 3 articles about 5-Chloro-2-formylpyridine 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: 77.0%

2-methyl-5-chloropyridine (72093-07-3) → 5-chloro-2-pyridine carboxaldehyde (31181-89-2)

Guidance literature:

With C₁₅H₁₁ClN₄SZn; p-benzoquinone; In tert-butyl alcohol; for 8h; Reagent/catalyst;

DOI:10.1016/j.jphotochem.2021.113455

Reference yield: 52.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 5-chloro-2-iodo-pyridine (244221-57-6) → 5-chloro-2-pyridine carboxaldehyde (31181-89-2)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; toluene; for 0.333333h;

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 5-chloro-2-iodo-pyridine (244221-57-6) → 5-chloro-2-pyridine carboxaldehyde (31181-89-2)

Guidance literature:

5-chloro-2-iodo-pyridine; With isopropylmagnesium chloride; In tetrahydrofuran; at -15 - 0 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

With hydrogenchloride; water; sodium hydrogencarbonate; more than 3 stages;

upstream raw materials:

N,N-dimethyl-formamide

5-chloro-2-iodo-pyridine

2-methyl-5-chloropyridine

Downstream raw materials:

C₃₀H₃₄ClN₇O

1-(5-chloropyridin-2-yl)-2,2,2-trifluoroethanone

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