Methyl 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate

Base Information

• Chemical Name: Methyl 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate
• CAS No.: 573673-43-5
• Molecular Formula: C21H15ClF3N3O4
• Molecular Weight: 465.816
• DSSTox Substance ID: DTXSID20436807
• Mol file: 573673-43-5.mol

Synonyms:Methyl 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate;573673-43-5;Methyl 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxylate;SCHEMBL3407209;DTXSID20436807;FT-0758484;Methyl4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate;methyl 4-[4-({[(4-chloro-3-trifluoromethyl-phenyl)amino]carbonyl}amino)-phenoxy]pyridine-2-carboxylate

Chemical Property of Methyl 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate

Chemical Property:

• Melting Point: 228-230 °C
• Boiling Point: 494.4±45.0 °C(Predicted)
• PKA: 12.89±0.70(Predicted)
• PSA: 93.04000
• Density: 1.469±0.06 g/cm3(Predicted)
• LogP: 6.06330
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 465.0703181
• Heavy Atom Count: 32
• Complexity: 646

Purity/Quality:

95+% ^*data from raw suppliers

Methyl4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Technology Process of Methyl 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate

There total 16 articles about Methyl 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate 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: 95.0%

methyl 4‐(4‐aminophenoxy)picolinate (757251-59-5) + 4-chloro-3-(trifluoromethyl)phenyl isocyanate (327-78-6) → methyl 4‐(4‐(3‐(4‐chloro‐3‐(trifluoromethyl)phenyl)ureido)phenoxy)picolinate (573673-43-5)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.cclet.2014.03.020

Reference yield: 90.0%

methanol (67-56-1) + 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-2-pyridinecarboxylic acid (1012058-78-4) → methyl 4‐(4‐(3‐(4‐chloro‐3‐(trifluoromethyl)phenyl)ureido)phenoxy)picolinate (573673-43-5)

Guidance literature:

With sulfuric acid; In water; for 3h; Reflux;

Reference yield:

4-amino-phenol (123-30-8) → methyl 4‐(4‐(3‐(4‐chloro‐3‐(trifluoromethyl)phenyl)ureido)phenoxy)picolinate (573673-43-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate / N,N-dimethyl-formamide / 2 h / 20 °C

1.2: 8 h / 80 °C / Inert atmosphere

2.1: dichloromethane / 0 - 20 °C / Inert atmosphere

With potassium tert-butylate; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.cclet.2014.03.020

upstream raw materials:

methyl 4‐(4‐aminophenoxy)picolinate

4-chloro-3-(trifluoromethyl)phenyl isocyanate

4-chloro-3-trifluoromethyl-aniline

4-chloropicolinic acid

Downstream raw materials:

4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-2-pyridine carboxamide

4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-2-pyridinecarboxylic acid

1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-(hydroxymethyl)pyridin-4-yloxy)phenyl)urea

N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-(methyl-d₃)aminoformyl)-4-pyridyloxy)phenyl)urea