Sorafenib related compound 10

Base Information

• Chemical Name: Sorafenib related compound 10
• CAS No.: 1012058-78-4
• Molecular Formula: C₂₀H₁₃ClF₃N₃O₄
• Molecular Weight: 451.789
• Mol file: 1012058-78-4.mol

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

Chemical Property of Sorafenib related compound 10

Chemical Property:

• Boiling Point: 510.3±50.0 °C(Predicted)
• PKA: 1.01±0.50(Predicted)
• Density: 1.549±0.06 g/cm3(Predicted)

Purity/Quality:

> 95% ^*data from raw suppliers

SorafenibHydroxydemethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Sorafenib Hydroxydemethylamine is a derivative of Sorafenib (S676850), a multiple kinase inhibitor targeting both RAF kinase and receptor tyrosine kinases that promote angiogensis. Antineoplastic.

Technology Process of Sorafenib related compound 10

There total 16 articles about Sorafenib related compound 10 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: 92.0%

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

Guidance literature:

methyl 4‐(4‐(3‐(4‐chloro‐3‐(trifluoromethyl)phenyl)ureido)phenoxy)picolinate; With methanol; lithium hydroxide; water; at 20 ℃; for 1h;

With water; In methanol; pH=5;

Reference yield: 90.0%

tert-butyl 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate (1097726-89-0) → 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-2-pyridinecarboxylic acid (1012058-78-4)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 50 ℃; for 16h;

Reference yield: 88.5%

C22H17ClF3N3O4 → 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-2-pyridinecarboxylic acid (1012058-78-4)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; at 20 ℃; Inert atmosphere;

upstream raw materials:

methyl 4‐(4‐(3‐(4‐chloro‐3‐(trifluoromethyl)phenyl)ureido)phenoxy)picolinate

tert-butyl 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinate

4-chloro-3-trifluoromethyl-aniline

4-chloro-3-(trifluoromethyl)phenyl isocyanate

Downstream raw materials:

(R)-methyl 2-(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamido)propanoate

4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-methoxypicolinamide

methyl 4‐(4‐(3‐(4‐chloro‐3‐(trifluoromethyl)phenyl)ureido)phenoxy)picolinate

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

Refernces

• 1、 -. "Preparation method and application of probe molecule containing photoaffinity group diazirine". Paragraph 0022; 0038-0039. . Retrieved 2021/07/24.
• 2、 -. "Photoaffinity probe molecule based on VEGFR-2 inhibitor (sorafenib) and preparation method thereof". Paragraph 0045; 0048. . Retrieved 2019/03/28.