733038-80-7

Basic information

• Product Name: tert-butyl 4-[6-[[5-bromo-4-(cyclopentylamino)pyrimidin-2-yl]amino]-3-pyridyl]piperazine-1-carboxylate
• Synonyms: WWLAQKVMMUUKKP-UHFFFAOYSA-N;1-Piperazinecarboxylic acid, 4-[6-[[5-broMo-4-(cyclopentylaMino)-2-pyriMidinyl]aMino]-3-pyridinyl]-, 1,1-diMethylethyl ester
• CAS NO: 733038-80-7
• Molecular Formula: C₂₃H₃₂BrN₇O₂
• Molecular Weight: 518.45
• Mol File: 733038-80-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 685.9°C at 760 mmHg
• Flash Point: 368.6°C
• Density: 1.416g/cm³
• Vapor Pressure: 1.15E-18mmHg at 25°C
• Refractive Index: 1.641
• CAS DataBase Reference: tert-butyl 4-[6-[[5-bromo-4-(cyclopentylamino)pyrimidin-2-yl]amino]-3-pyridyl]piperazine-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 4-[6-[[5-bromo-4-(cyclopentylamino)pyrimidin-2-yl]amino]-3-pyridyl]piperazine-1-carboxylate(733038-80-7)
• EPA Substance Registry System: tert-butyl 4-[6-[[5-bromo-4-(cyclopentylamino)pyrimidin-2-yl]amino]-3-pyridyl]piperazine-1-carboxylate(733038-80-7)

Safety Data

• Hazardous Substances Data: 733038-80-7(Hazardous Substances Data)

Upstream product

• 571188-59-5 tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate 
• 733039-20-8 5-bromo-2-chloro-N-cyclopentylaminopyrimidine-4-amine 
• 1003-03-8 Cyclopentamine 

Downstream Products

• 1651214-74-2 4-[6-(6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino)pyridine-3-yl]piperazine-1-carboxylic acid tert-butyl ester 
• 571190-30-2 PD 0332991 

Relevant articles and documents

Method for synthesizing palbociclib

The invention discloses a method for synthesizing palbociclib. The method comprises the following steps: (1) carrying out substitution reaction between a compound of a formula VI and a compound of a formula VII, so as to obtain a compound of a formula VIII; (2) carrying out acylation reaction between the compound of the formula VIII and a compound of a formula III, so as to obtain a compound of aformula IX; (3) carrying out self-coupling on the compound of the formula IX in the presence of a metal catalyst, so as to obtain a compound of a formula X; and (4) carrying out deprotection on the compound of the formula X, so as to obtain a compound of a formula XI, namely the palbociclib. Compared with the prior art, the method has the advantages that a noble metal catalyst or a toxic dehydrogenation reagent or the like is not used, the reaction conditions are mild, the reaction selectivity is good, the total yield is relatively high, the total yield is relatively high, the liquid-phase purity of the product is high, the production cost is substantially lowered, and the method is relatively suitable for industrial production.