5-Chloropyridine-2-carbonyl chloride

Base Information

• Chemical Name: 5-Chloropyridine-2-carbonyl chloride
• CAS No.: 128073-03-0
• Molecular Formula: C6H3Cl2NO
• Molecular Weight: 176.002
• Hs Code.: 2933399090
• European Community (EC) Number: 817-312-5
• DSSTox Substance ID: DTXSID10568181
• Wikidata: Q82454356
• Mol file: 128073-03-0.mol

Synonyms:128073-03-0;5-chloropicolinoyl chloride;5-chloropyridine-2-carbonyl chloride;2-Pyridinecarbonyl chloride, 5-chloro-;5-chloropicolinoylchloride;2-Pyridinecarbonyl chloride, 5-chloro- (9CI);5-Chloro-2-Pyridinecarbonyl chloride;SCHEMBL1441384;DTXSID10568181;JRIASDXJZYOBCA-UHFFFAOYSA-N;MFCD13173945;5-chloro-pyridine-2-carbonyl chloride;AKOS013720799;5-chloropyridinecarboxylic acid chloride;AMY202100016;AS-80197;2-Pyridinecarbonylchloride,5-chloro-(9CI);5-chloropyridine-2-carboxylic acid chloride;2-Pyridinecarbonyl chloride,5-chloro-(9ci);E90817;EN300-119228

Chemical Property of 5-Chloropyridine-2-carbonyl chloride

Chemical Property:

• Boiling Point: 220.761 °C at 760 mmHg
• Flash Point: 87.314 °C
• PSA: 29.96000
• Density: 1.454 g/cm³
• LogP: 2.11400
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.9591691
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

5-ChloropicolinoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Chloropyridine-2-carbonyl chloride

There total 12 articles about 5-Chloropyridine-2-carbonyl chloride 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%

5-chloropicolinic acid (86873-60-1) → 4-chloronicotinoyl chloride (128073-03-0)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; toluene; at 0 - 20 ℃; for 17h;

Reference yield:

ethyl 6-methylnicotinate (21684-59-3) → 4-chloronicotinoyl chloride (128073-03-0)

Guidance literature:

Multi-step reaction with 5 steps

1: aqueous NH₃

2: NaOCl; aqueous KOH

3: potassium nitrite; aqueous hydrochloric acid / Behandeln des Reaktionsprodukts mit Kupfer(I)-chlorid und wss. Salzsaeure

4: KMnO₄; H₂O

5: SOCl₂

With hydrogenchloride; potassium hydroxide; ammonium hydroxide; sodium hypochlorite; potassium permanganate; thionyl chloride; potassium nitrite; water;

Reference yield:

5-Amino-2-methylpyridine (80287-53-2,3430-14-6) → 4-chloronicotinoyl chloride (128073-03-0)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium nitrite; aqueous hydrochloric acid / Behandeln des Reaktionsprodukts mit Kupfer(I)-chlorid und wss. Salzsaeure

2: KMnO₄; H₂O

3: SOCl₂

With hydrogenchloride; potassium permanganate; thionyl chloride; potassium nitrite; water;

upstream raw materials:

5-chloropicolinic acid

5-Amino-2-methylpyridine

2-methyl-5-chloropyridine

6-methylnicotinamide

Downstream raw materials:

methyl 5-chloropyridine-2-carboxylate

C₂₆H₂₁ClF₄N₆O₄

C₂₇H₂₁ClF₄N₆O₅

C₂₆H₂₂ClF₃N₆O₅