6-Phenoxynicotinoyl Chloride

Base Information

• Chemical Name: 6-Phenoxynicotinoyl Chloride
• CAS No.: 51362-51-7
• Molecular Formula: C12H8 Cl N O2
• Molecular Weight: 233.654
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80380130
• Wikidata: Q82170202
• Mol file: 51362-51-7.mol

Synonyms:6-Phenoxynicotinoyl Chloride;51362-51-7;6-phenoxypyridine-3-carbonyl chloride;6-PHENOXYNICOTINOYLCHLORIDE;SCHEMBL3645651;DTXSID80380130;GPRAVIOXVXPJHC-UHFFFAOYSA-N;BCA36251;MFCD02681948;BS-28521;FT-0621301

Chemical Property of 6-Phenoxynicotinoyl Chloride

Chemical Property:

• Vapor Pressure: 3.39E-05mmHg at 25°C
• Melting Point: 80 °C
• Boiling Point: 354.3°C at 760 mmHg
• Flash Point: 168.1°C
• PSA: 39.19000
• Density: 1.3g/cm³
• LogP: 3.25290
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.0243562
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

6-Phenoxynicotinoyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34-43
• Safety Statements: 26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Phenoxynicotinoyl Chloride

There total 2 articles about 6-Phenoxynicotinoyl 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:

6-phenoxynicotinic acid (51362-38-0) → 6-phenoxynicotinoyl chloride (51362-51-7)

Guidance literature:

With thionyl chloride; Heating;

DOI:10.1016/S0022-328X(03)00347-4

Reference yield:

→ 6-phenoxynicotinoyl chloride (51362-51-7)

Guidance literature:

entspr. RCOOH, SOCl2;

Reference yield: 10.1%

2-amino-5,5-dimethylhexanoic acid (142886-12-2,142886-13-3) + 6-phenoxynicotinoyl chloride (51362-51-7) → 5-5-dimethyl-2-(6-phenoxynicotinamido)hexanoic acid

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2020.127403

upstream raw materials:

6-phenoxynicotinic acid

Downstream raw materials:

6-phenoxynicotinic acid methyl ester

N,N-dimethyl-6-phenoxynicotinamide

N-cyclopentyl-6-phenoxynicotinamide

N-methyl-6-phenoxynicotinamide

Refernces