tert-Butyl 4-(3-bromophenyl)piperazine-1-carboxylate

Name: tert-Butyl 4-(3-bromophenyl)piperazine-1-carboxylate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 327030-39-7
Cat. No. CS-0060946
Molecule weight341.24
Purity≥96%
MDL No.None

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tert-Butyl 4-(3-bromophenyl)piperazine-1-carboxylate|CS-0060946

Structure of 327030-39-7

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General Information

CAS No. 327030-39-7
Cat. No. CS-0060946
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₁BrN₂O₂
Molecular Weight 341.24
Synonym(s) 4-(3-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
SMILES CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)Br

Description

tert-Butyl 4-(3-bromophenyl)piperazine-1-carboxylate features a brominated phenyl group attached to a piperazine core, enabling direct functionalization in medicinal chemistry. The tert-butyl ester moiety offers stability and convenient deprotection under mild acidic conditions. This compound serves as a key intermediate for synthesizing CNS-targeted therapeutics and kinase inhibitors.

Application

tert-Butyl 4-(3-bromophenyl)piperazine-1-carboxylate serves as a versatile building block for the synthesis of bioactive piperazine derivatives. The bromophenyl group enables subsequent cross-coupling reactions, while the tert-butyl carbamate offers protection and stability under standard reaction conditions. Its compatibility with palladium-catalyzed transformations facilitates efficient access to complex scaffolds in medicinal chemistry and process development.

Synthesis

Route1
- In-stock
  
  24424-99-5
- 31197-30-5
- ~98%
- In-stock
  
  327030-39-7
References
- TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: US2009/163508 A1, 2009 ; Location in patent: Page/Page column 26 ; US 20090163508 A1
Route2
- In-stock
  
  108-36-1
- 57260-71-6
- ~50%
- In-stock
  
  327030-39-7
References
- Almirall, S.A.; Vidal Juan, Bernat; Fernandez Collado, Juan Carlos; Erra Sola, Montserrat; Aguilar Izquierdo, Nuria; Mir Cepeda, Marta; Carranco Moruno, Inés Patent: EP2489663 A1, 2012 ; Location in patent: Paragraph 0108; 0109 ; EP 2489663 A1
Route3
- In-stock
  
  591-18-4
- 57260-71-6
- ~54%
- In-stock
  
  327030-39-7
References
- Castillo, Marcos; Forns, Pilar; Erra, Montse; Mir, Marta; Lopez, Manel; Maldonado, Monica; Orellana, Adelina; Carreno, Cristina; Ramis, Isabel; Miralpeix, Montserrat; Vidal, Bernat Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 17 p. 5419 - 5423

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 32.78
LogP 3.5062
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

327030-39-7 sigma327030-39-7 manufacturer327030-39-7 price327030-39-7 structure327030-39-7 SDSbuy 327030-39-7327030-39-7 supplier327030-39-7 uses327030-39-7 molecular weightprice of 327030-39-7327030-39-7 chemical name formula of 327030-39-7

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tert-Butyl 4-(3-bromophenyl)piperazine-1-carboxylate

CAS No. 327030-39-7

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