4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3-methylbenzoic acid ethyl ester

Base Information

• Chemical Name: 4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3-methylbenzoic acid ethyl ester
• CAS No.: 943826-94-6
• Molecular Formula: C₂₁H₁₉N₅O₂
• Molecular Weight: 373.414
• Mol file: 943826-94-6.mol

Synonyms:4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3-methylbenzoic acid ethyl ester

Chemical Property of 4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3-methylbenzoic acid ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3-methylbenzoic acid ethyl ester

There total 1 articles about 4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3-methylbenzoic acid ethyl ester 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: 39.0%

1-amino-2-methylbenzene-4-carboxylic acid ethyl ester (40800-65-5) + 4-[(4-chloro-2-pyrimidinyl)amino]benzonitrile (244768-32-9) → 4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3-methylbenzoic acid ethyl ester (943826-94-6)

Guidance literature:

at 150 ℃;

DOI:10.1016/j.ejmech.2006.11.014

Reference yield: 80.0%

4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3-methylbenzoic acid ethyl ester (943826-94-6) → 4-[4-(4-hydroxymethyl-2-methylphenylamino)pyrimidin-4-ylamino]benzonitrile (500293-59-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 20h;

DOI:10.1016/j.ejmech.2006.11.014

Reference yield:

4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3-methylbenzoic acid ethyl ester (943826-94-6) → CNCHCHC6H3CH3NHC4H2N3HC6H4CN

Guidance literature:

Multi-step reaction with 3 steps

1.1: 80 percent / LiAlH₄ / tetrahydrofuran / 20 h / 0 - 20 °C

2.1: 46 percent / MnO₂ / CH₂Cl₂ / 20 h / 20 °C

3.1: potassium tert-butoxide / tetrahydrofuran / 1 h / 0 - 20 °C

3.2: 7 percent / tetrahydrofuran

With manganese(IV) oxide; lithium aluminium tetrahydride; potassium tert-butylate; In tetrahydrofuran; dichloromethane; 3.2: Wittig-Wadsworth-Emmons reaction;

DOI:10.1016/j.ejmech.2006.11.014

upstream raw materials:

1-amino-2-methylbenzene-4-carboxylic acid ethyl ester

4-[(4-chloro-2-pyrimidinyl)amino]benzonitrile

Downstream raw materials:

4-[4-(4-hydroxymethyl-2-methylphenylamino)pyrimidin-4-ylamino]benzonitrile

4-[4-(4-formyl-2-methylphenylamino)pyrimidin-4-ylamino]benzonitrile