885274-36-2

Basic information

• Product Name: 2-(4-BOC-PIPERAZINYL)-2-(4-CYANO-PHENYL)ACETIC ACID
• Synonyms: ALPHA-(4-BOC-PIPERAZINYL)-ALPHA-(4-CYANOPHENYL)ACETIC ACID;2-(4-BOC-PIPERAZINYL)-2-(4-CYANO-PHENYL)ACETIC ACID;2-(4-(Tert-Butoxy)Carbonyl piperazinyl)-Alpha-(4-cyano-phenyl)acetic acid
• CAS NO: 885274-36-2
• Molecular Formula: C18H23N3O4
• Molecular Weight: 345.39
• Product Categories: Boc-alpha-Piperazino Phenyl Acetic Acids
• Mol File: 885274-36-2.mol

Chemical Properties

• Boiling Point: 496.7±45.0 °C(Predicted)
• Appearance: /
• Density: 1.26±0.1 g/cm3(Predicted)
• PKA: 1.53±0.10(Predicted)
• CAS DataBase Reference: 2-(4-BOC-PIPERAZINYL)-2-(4-CYANO-PHENYL)ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-BOC-PIPERAZINYL)-2-(4-CYANO-PHENYL)ACETIC ACID(885274-36-2)
• EPA Substance Registry System: 2-(4-BOC-PIPERAZINYL)-2-(4-CYANO-PHENYL)ACETIC ACID(885274-36-2)

Safety Data

• Hazardous Substances Data: 885274-36-2(Hazardous Substances Data)

Usage

Acetate derivative

It is a derivative of acetic acid This means that the compound is derived from acetic acid (CH3COOH) by replacing the -OH group with other functional groups.

Contains piperazine and phenyl groups

These are the two main structural components Piperazine is a heterocyclic compound with a six-membered ring containing four nitrogen atoms, while phenyl is a six-membered carbon ring with alternating single and double bonds.

Cyano substituent

Presence of a -CN group This is a cyano group attached to the phenyl ring, which provides reactivity and versatility to the compound.

Used in organic synthesis and medicinal chemistry research

It serves as a valuable building block The compound is often used in the synthesis of various organic molecules and has potential pharmaceutical applications due to its unique structure and reactivity.

BOC group as a protective group

Can be selectively removed under certain conditions The tert-butyloxycarbonyl (BOC) group is a common protecting group for amines, which can be removed using specific reagents or conditions to reveal the free amine group.

Versatility in synthesis

Allows for further manipulation of the molecule The presence of both the BOC-protected piperazine and cyano group makes this compound a versatile building block for the synthesis of a wide range of organic molecules and potential pharmaceuticals.

Upstream product

• 885953-33-3 methyl 2-bromo-2-(4-cyanophenyl)acetate 
• 52798-01-3 methyl 4-cyanobenzeneacetate 

Relevant articles and documents

Discovery and hit-to-lead evaluation of piperazine amides as selective, state-dependent NaV1.7 inhibitors

NaV1.7 is a particularly compelling target for the treatment of pain. Herein, we report the discovery and evaluation of a series of piperazine amides that exhibit state-dependent inhibition of NaV1.7. After demonstrating significant pharmacodynamic activity with early lead compound 14 in a NaV1.7-dependent behavioural mouse model, we systematically established SAR trends throughout each sector of the scaffold. The information gleaned from this modular analysis was then applied additively to quickly access analogues that encompass an optimal balance of properties, including NaV1.7 potency, selectivity over NaV1.5, aqueous solubility, and microsomal stability.