Bafetinib

Base Information

• Chemical Name: Bafetinib
• CAS No.: 859217-05-3
• Molecular Formula: C₃₀H₃₁F₃N₈O
• Molecular Weight: 576.624
• Mol file: 859217-05-3.mol

Synonyms:N-[3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide; N-{3-[([5,5'-bipyrimidin]-2-yl)amino]-4-methylphenyl}-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide

Chemical Property of Bafetinib

Chemical Property:

• Density: 1.36

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Bafetinib

There total 9 articles about Bafetinib 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:

4-(bromomethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide (859213-40-4) + (S)?N,N-dimethylpyrrolidin-3-amine → Bafetinib (859217-05-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2005.11.042

Reference yield:

4-(bromomethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide (859213-40-4) + (R)-(+)-3-(dimethylamino)pyrrolidine → 4-[(R)-3-(dimethylamino)pyrrolidin-1-ylmethyl]-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide (859217-05-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2005.11.042

Reference yield:

4-methyl-3-(trifluoromethyl)benzoic acid (261952-01-6) → 4-[(R)-3-(dimethylamino)pyrrolidin-1-ylmethyl]-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide (859217-05-3)

Guidance literature:

Multi-step reaction with 4 steps

1: NaBrO₃; NaHSO₃ / ethyl acetate

2: (COCl)2; DMF / CH₂Cl₂ / 20 °C

3: K₂CO₃ / dioxane / 20 °C

4: K₂CO₃ / dimethylformamide / 20 °C

With sodium bromate; oxalyl dichloride; potassium carbonate; sodium hydrogensulfite; N,N-dimethyl-formamide; In 1,4-dioxane; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2005.11.042

upstream raw materials:

4-(bromomethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide

4-methyl-3-(trifluoromethyl)benzoic acid

4-(bromomethyl)-3-(trifluoromethyl)benzoyl chloride

4-(bromomethyl)-3-(trifluoromethyl)benzoic acid