tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate

Name: tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 221050-88-0
Cat. No. CS-W003039
Purity≥97%
MDL No.MFCD03407443

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate|CS-W003039

Structure of 221050-88-0

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General Information

CAS No. 221050-88-0
Cat. No. CS-W003039
Purity ≥97%
MDL No. MFCD03407443
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₉ClN₄O₂
Molecular Weight 298.77
Synonym(s) tert-Butyl 4-(2-chloropyrimidin-4-yl)
SMILES O=C(N1CCN(C2=NC(Cl)=NC=C2)CC1)OC(C)(C)C

Description

tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate features a chloropyrimidine moiety paired with a piperazine scaffold, enabling direct integration into kinase inhibitor scaffolds. The tert-butyl ester group offers stability and facilitates convenient deprotection under mild acidic conditions. This compound serves as a key intermediate in medicinal chemistry campaigns targeting ATP-binding sites.

Application

tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate serves as a versatile building block for pyrimidine-based scaffolds, enabling efficient late-stage functionalization in medicinal chemistry. The chloropyrimidine moiety facilitates palladium-catalyzed cross-coupling reactions, while the tert-butyl carbamate group offers stability and convenient deprotection under mild acidic conditions. Its compatibility with diverse reaction partners makes it valuable for constructing bioactive heterocycles and drug candidates.

Synthesis

Route1
- 3934-20-1
- 57260-71-6
- ~87%
- In-stock
  
  221050-88-0
References
- Kono, Mitsunori; Matsumoto, Takahiro; Imaeda, Toshihiro; Kawamura, Toru; Fujimoto, Shinji; Kosugi, Yohei; Odani, Tomoyuki; Shimizu, Yuji; Matsui, Hideki; Shimojo, Masato; Kori, Masakuni Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 4 p. 1468 - 1478
Route2
- In-stock
  
  7461-50-9
- 57260-71-6
- ~%
- In-stock
  
  221050-88-0
References
- WO2011/95196 A1, ; Page/Page column 114 ; WO 2011/095196 A1
Route3
- 3934-20-1
- 57260-71-6
- ~%
- In-stock
  
  221050-88-0
- In-stock
  
  479691-42-4
References
- US2005/176722 A1, ; Page/Page column 20; 22 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 58.56
LogP 2.1871
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate

CAS No. 221050-88-0

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