CRA-0450 free base

Base Information

• Chemical Name: CRA-0450 free base
• CAS No.: 388122-48-3
• Molecular Formula: C22H19Cl2N3O
• Molecular Weight: 412.318
• UNII: 00344T3G2P
• Nikkaji Number: J2.731.166K
• Wikidata: Q27231311
• Mol file: 388122-48-3.mol

Synonyms:CRA-0450 free base;R-278995 free base;UNII-00344T3G2P;00344T3G2P;4-Pyridinecarboxamide, 1-(8-(2,4-dichlorophenyl)-2-methyl-4-quinolinyl)-1,2,3,6-tetrahydro-;388122-48-3;SCHEMBL5249196;GMUZQONFKJHOEY-UHFFFAOYSA-N;PD159624;Q27231311;8-(2,4-dichlorophenyl)-4-(4-carbamoyl-1,2,3,6-tetrahydropyridin-1-yl)-2-methyl-quinoline;8-(2,4-dichlorophenyl)-4-(4-carbamoyl-1,2,3,6-tetrahydropyridin-1-yl)-2-methylquinoline

Chemical Property of CRA-0450 free base

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 411.0905176
• Heavy Atom Count: 28
• Complexity: 613

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C=CC=C(C2=N1)C3=C(C=C(C=C3)Cl)Cl)N4CCC(=CC4)C(=O)N

Technology Process of CRA-0450 free base

There total 3 articles about CRA-0450 free base 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:

8-bromo-4-(4-carbamoyl-1,2,3,6-tetrahydropyridin-1-yl)-2-methylquinoline (388123-63-5) + 2,4-dichlorophenyl boronic acid → R278995 (388122-48-3)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; water; toluene;

Reference yield:

N,N-phenylbistrifluoromethane-sulfonimide (37595-74-7) + 4-carbamoyl-1,2,3,6-tetrahydropyridine hydrochloride + 2-methyl-4-hydroxy-8-(2',4'-dichlorophenyl)quinoline (215115-07-4) → R278995 (388122-48-3)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide;

Reference yield:

→ R278995 (388122-48-3)

Guidance literature:

upstream raw materials:

N,N-phenylbistrifluoromethane-sulfonimide

2-methyl-4-hydroxy-8-(2',4'-dichlorophenyl)quinoline

8-bromo-4-(4-carbamoyl-1,2,3,6-tetrahydropyridin-1-yl)-2-methylquinoline

Downstream raw materials:

8-(2,4-dichlorophenyl)-4-(4-carboxy-1,2,3,6-tetrahydropyridin-1-yl)-2-methylquinoline