4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester

Base Information

• Chemical Name: 4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester
• CAS No.: 845639-56-7
• Molecular Formula: C₁₉H₁₈ClN₃O₃
• Molecular Weight: 371.823
• Mol file: 845639-56-7.mol

Synonyms:4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester

Chemical Property of 4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester

There total 3 articles about 4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl 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: 98.0%

4-(bromomethyl)benzoic acid 1,1-dimethylethyl ester (108052-76-2) + 6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one (171178-47-5) → 4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester (845639-56-7)

Guidance literature:

6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one; With caesium carbonate; In DMF (N,N-dimethyl-formamide); for 0.0833333h;

4-(bromomethyl)benzoic acid 1,1-dimethylethyl ester; In DMF (N,N-dimethyl-formamide); for 0.75h; Product distribution / selectivity;

Reference yield: 89.5%

4-chloromethylbenzoic acid tert-butyl ester (121579-86-0) + 6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one (171178-47-5) → 4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester (845639-56-7)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 - 60 ℃;

DOI:10.1021/jm701274v

Reference yield: 89.5%

6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one (171178-47-5) + 4-(aminomethyl)benzoic acid tert-butyl ester (107045-28-3) → 4-(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-ylmethyl)benzoic acid tert-butyl ester (845639-56-7)

Guidance literature:

6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one; With caesium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 1h;

4-(aminomethyl)benzoic acid tert-butyl ester; In DMF (N,N-dimethyl-formamide); at 20 - 60 ℃; Product distribution / selectivity;

upstream raw materials:

4-chloromethylbenzoic acid tert-butyl ester

6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one

4-(bromomethyl)benzoic acid 1,1-dimethylethyl ester

4-(aminomethyl)benzoic acid tert-butyl ester

Downstream raw materials:

3-(4-tert-butoxycarbonylbenzyl)-4-oxo-3,4-dihydropyrido[3,5-d]pyrimidine-6-carboxylic acid methyl ester