Cloquintocet

Base Information

• Chemical Name: Cloquintocet
• CAS No.: 88349-88-6
• Molecular Formula: C₁₁H₈ClNO₃
• Molecular Weight: 237.642
• Hs Code.: 2933499090
• European Community (EC) Number: 635-476-4,926-839-0
• UNII: BPY57POY0L
• DSSTox Substance ID: DTXSID60236984
• Nikkaji Number: J969.917A
• Wikidata: Q27274805
• Mol file: 88349-88-6.mol

Synonyms:Cloquintocet;88349-88-6;2-[(5-chloroquinolin-8-yl)oxy]acetic acid;Cloquintocet [ISO];CloquintocetPESTANAL;[(5-chloroquinolin-8-yl)oxy]acetic acid;BPY57POY0L;(5-chloroquinolin-8-yloxy)acetic acid;2-((5-chloroquinolin-8-yl)oxy)acetic acid;2-[(5-chloro-8-quinolinyl)oxy]acetic acid;2-((5-CHLORO-8-QUINOLINYL)OXY)ACETIC ACID;UNII-BPY57POY0L;2-[(5-chloro-8-quinolyl)oxy]acetic acid;SCHEMBL137002;DTXSID60236984;5-chloroquinolin-8-oxyacetic acid;CHEBI:143146;MFCD08098794;AKOS000104688;[(5-Chloro-8-quinolinyl)oxy]acetic acid;2-(5-chloroquinolin-8-yl)oxyacetic acid;VS-02128;CS-0249517;NS00040713;EN300-43763;F75533;ACETIC ACID, (5-CHLORO-8-QUINOLYLOXY)-;Acetic acid, 2-[(5-chloro-8-quinolinyl)oxy]-;Cloquintocet, PESTANAL(R), analytical standard;A842551;ACETIC ACID, ((5-CHLORO-8-QUINOLINYL)OXY)-;Q27274805;Z228583490;(5-Chloro-8-quinolinyl)oxyacetic Acid;2-[(5-Chloro-8-quinolyl)oxy]acetic acid

Chemical Property of Cloquintocet

Chemical Property:

• Appearance/Colour: off-white to light yellow crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 121-126ºC
• Refractive Index: 1.653
• Boiling Point: 435 °C at 760 mmHg
• PKA: 2.87±0.40(Predicted)
• Flash Point: 216.9 °C
• PSA: 59.42000
• Density: 1.450
• LogP: 2.35160
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 237.0192708
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

99.9% ^*data from raw suppliers

Cloquintocet ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2N=C1)OCC(=O)O)Cl
• Uses: Cloquintocet is a herbicidal composition that contains Pinoxaden(P469505).

Technology Process of Cloquintocet

There total 8 articles about Cloquintocet 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: 87.6%

5-Chloro-8-hydroxyquinoline (130-16-5) + chloroacetic acid (79-11-8) → cloquintocet (88349-88-6)

Guidance literature:

With potassium carbonate; sodium hydroxide; In dimethyl sulfoxide; Reagent/catalyst;

DOI:10.1021/acs.oprd.9b00279

Reference yield: 87.0%

methyl 2-((5-chloroquinolin-8-yl)oxy)acetate → cloquintocet (88349-88-6)

Guidance literature:

With water; sodium hydroxide; at 60 - 65 ℃; for 1h;

Reference yield:

cloquintocet-mexyl (99607-70-2) → cloquintocet (88349-88-6)

Guidance literature:

cloquintocet-mexyl; With hydrogenchloride; water; at 90 ℃; Reflux;

With sodium hydroxide; In water; at 90 ℃; for 2h; pH=2.8; Reagent/catalyst;

upstream raw materials:

cloquintocet-mexyl

5-Chloro-8-hydroxyquinoline

chloroacetic acid

ethyl ((5-chloroquinolin-8-yl)oxy)acetate

Downstream raw materials:

C₂₃H₁₆ClN₃O₃S

C₂₄H₁₈ClN₃O₃S

C₂₅H₁₈ClN₃O₃

Refernces

• 1、 -. "Synthesis method of cloquintocet-mexyl". Paragraph 0016; 0017; 0019; 0020; 0022; 0023. . Retrieved 2021/07/21.
• 2、 -. "PROCESS FOR THE PREPARATION OF A QUINOLINE CARBOXYLIC ACID". Page/Page column 14; 15. . Retrieved 2013/06/05.