1-(3-Chlorobenzyl)-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid

Base Information

• Chemical Name: 1-(3-Chlorobenzyl)-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid
• CAS No.: 338754-68-0
• Molecular Formula: C13H10ClNO3
• Molecular Weight: 263.68
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50377254
• Wikidata: Q82166407
• Mol file: 338754-68-0.mol

Synonyms:1-(3-Chlorobenzyl)-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid;338754-68-0;1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-(3-Chlorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid;Oprea1_335378;SCHEMBL3349244;DTXSID50377254;BYNRGIVNDGYPAO-UHFFFAOYSA-N;MFCD00139984;AKOS005070619;5E-340S;CS-0320324;1-(3-Chlorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylicacid;1-(3-chlorobenzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid;1-[(3-chlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid;1-(3-chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid, AldrichCPR

Chemical Property of 1-(3-Chlorobenzyl)-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid

Chemical Property:

• Melting Point: 187-188,5°C
• PSA: 59.30000
• LogP: 2.24820
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 263.0349209
• Heavy Atom Count: 18
• Complexity: 417

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-Chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CN2C=CC=C(C2=O)C(=O)O

Technology Process of 1-(3-Chlorobenzyl)-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid

There total 1 articles about 1-(3-Chlorobenzyl)-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid 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-hydroxy-3-carboxypyridine (609-71-2) + 1-bromomethyl-3-chlorobenzene (766-80-3) → 1-(3-chloro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid (338754-68-0)

Guidance literature:

2-hydroxy-3-carboxypyridine; With methanol; sodium hydroxide; water; Heating / reflux;

1-bromomethyl-3-chlorobenzene; In methanol; water;

Reference yield: 41.0%

(6-amino-hex-3-ynyl)-carbamic acid tert-butyl ester (1001412-48-1) + 1-(3-chloro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid (338754-68-0) → C24H28ClN3O4 (1001412-50-5)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 22h;

Reference yield:

1-(3-chloro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid (338754-68-0) + 5-tert-butoxycarbonylamino-1-aminopentane (51644-96-3) → C23H30ClN3O4 (1001412-44-7)

Guidance literature:

With 2-chloro-1,3-dimethylimidazolinium chloride; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; Product distribution / selectivity;

upstream raw materials:

2-hydroxy-3-carboxypyridine

1-bromomethyl-3-chlorobenzene

Downstream raw materials:

C₂₃H₃₀ClN₃O₄

C₂₄H₂₈ClN₃O₄

methyl (2S)-5-[(tert-butoxycarbonyl)amino]-2-({[1-(3-chlorobenzyl)-2-oxo-1,2-dihydropyridin-3-yl]carbonyl}amino)pentanoate

C₁₈H₂₂ClN₃O₂*ClH

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