Clonixin

Base Information

• Chemical Name: Clonixin
• CAS No.: 17737-65-4
• Molecular Formula: C13H11ClN2O2
• Molecular Weight: 262.696
• Hs Code.: 2933399090
• European Community (EC) Number: 241-730-1
• NSC Number: 335505
• UNII: V7DXN0M42R
• DSSTox Substance ID: DTXSID2046121
• Nikkaji Number: J10.188E
• Wikipedia: Clonixin
• Wikidata: Q5135028
• NCI Thesaurus Code: C65340
• Metabolomics Workbench ID: 144335
• ChEMBL ID: CHEMBL1332971
• Mol file: 17737-65-4.mol

Synonyms:CBA 93626;CBA-93626;CBA93626;Clonixin;Sch 10304;Sch-10304;Sch10304

Chemical Property of Clonixin

Chemical Property:

• Vapor Pressure: 1.83E-07mmHg at 25°C
• Melting Point: 233-235°
• Refractive Index: 1.665
• Boiling Point: 410.2 °C at 760 mmHg
• PKA: 1.69±0.36(Predicted)
• Flash Point: 201.9 °C
• PSA: 62.22000
• Density: 1.386 g/cm³
• LogP: 3.55820
• Storage Temp.: room temp
• Solubility.: DMSO: soluble15mg/mL, clear
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 262.0509053
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chlonixin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O
• Uses: Analgesic. Clonixin is a non-steroidal anti-inflammatory drug. It also has analgesic, antipyretic, and platelet-inhibitory actions. The compound has been reported to block prostaglandin synthesis, and to block inward calcium currents.

Technology Process of Clonixin

There total 2 articles about Clonixin 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: 66.0%

→ clonixin (17737-65-4)

Guidance literature:

With copper; potassium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 12h;

Reference yield:

2-chloronicotinic acid (2942-59-8) + 3-chloro-2-methylbenzenamine (87-60-5) → clonixin (17737-65-4)

Guidance literature:

With pyridine; toluene-4-sulfonic acid; In water; Heating;

DOI:10.1021/jm00172a004

Reference yield: 95.0%

clonixin (17737-65-4) + allyl bromide (106-95-6) → C16H15ClN2O2

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1039/d0gc01726d

upstream raw materials:

2-chloronicotinic acid

3-chloro-2-methylbenzenamine

Downstream raw materials:

2-<(2-metil-3-clorofenil)amino>-3-piridincarboxilato de ftalidilo

2-<(2-metil-3-clorofenil)amino>-3-piridincarboxilato de pivaloiloximetilo

(3-Chloro-2-methyl-phenyl)-(3-phenylsulfanylmethyl-pyridin-2-yl)-amine

1,3-dihydro-1-(3-chloro-2-methylphenyl)-3-(phenylthio)-2H-pyrrolo[2,3-b]pyridin-2-one

Refernces

• 1、 Ting, Pauline C.,Kaminski, James J.,Sherlock, Margaret H.,Tom, Wing C.,Lee, Joe F.,et al.. "Substituted 1,3-Dihydro-2H-pyrrolopyridin-2-ones as Potential Antiinflammatory Agents". . p. 2697 - 2706. Retrieved 2007/10/02.