2-(4-Chlorophenoxy)pyridine-3-carbonyl chloride

Base Information

• Chemical Name: 2-(4-Chlorophenoxy)pyridine-3-carbonyl chloride
• CAS No.: 51362-50-6
• Molecular Formula: C₁₂H₇Cl₂NO₂
• Molecular Weight: 268.099
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10379259
• Wikidata: Q82168989
• Mol file: 51362-50-6.mol

Synonyms:2-(4-chlorophenoxy)pyridine-3-carbonyl chloride;51362-50-6;2-(4-Chlorophenoxy)nicotinoyl chloride;2-(4-Chloro-phenoxy)-nicotinoyl chloride;SCHEMBL2924686;DTXSID10379259;CAEKTJMKOZHNPM-UHFFFAOYSA-N;BCA36250;MFCD00067837;BS-28520;FT-0608616;2-(4-Chlorophenoxy)-2-pyridine-3-carbonyl chloride;(S)-3-[(S)-2-((S)-1-ETHOXYCARBONYL-3-PHENYL-PROPYLAMINO)-PROPIONYL]-1-METHYL-2-OXO-IMIDAZOLIDINE-4-CARBOXYLICACID

Chemical Property of 2-(4-Chlorophenoxy)pyridine-3-carbonyl chloride

Chemical Property:

• Vapor Pressure: 1.17E-05mmHg at 25°C
• Melting Point: 79 °C
• Boiling Point: 369.7°Cat760mmHg
• PKA: 0.01±0.22(Predicted)
• Flash Point: 177.4°C
• PSA: 39.19000
• Density: 1.399g/cm³
• LogP: 3.90630
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 266.9853839
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Chlorophenoxy)pyridine-3-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)OC2=CC=C(C=C2)Cl)C(=O)Cl

Technology Process of 2-(4-Chlorophenoxy)pyridine-3-carbonyl chloride

There total 3 articles about 2-(4-Chlorophenoxy)pyridine-3-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:

2-(4-chlorophenoxy)nicotinic acid (51362-37-9) → 2-(4-chlorophenoxy)nicotinoyl chloride (51362-50-6)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 60 ℃; for 1h;

DOI:10.1021/acs.jafc.0c00947

Reference yield:

2-chloronicotinic acid (2942-59-8) → 2-(4-chlorophenoxy)nicotinoyl chloride (51362-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; copper dichloride / N,N-dimethyl-formamide / 10 h / 140 °C

2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 1 h / 60 °C

With thionyl chloride; potassium carbonate; N,N-dimethyl-formamide; copper dichloride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/acs.jafc.0c00947

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) → 2-(4-chlorophenoxy)nicotinoyl chloride (51362-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; copper dichloride / N,N-dimethyl-formamide / 10 h / 140 °C

2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 1 h / 60 °C

With thionyl chloride; potassium carbonate; N,N-dimethyl-formamide; copper dichloride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/acs.jafc.0c00947

upstream raw materials:

2-(4-chlorophenoxy)nicotinic acid

2-chloronicotinic acid

4-chloro-phenol

Downstream raw materials:

C₂₁H₁₉ClN₂O₄S

C₂₁H₂₀ClN₃O₄S

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