438049-91-3

Basic information

• Product Name: 1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-
• Synonyms: 1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-;(3R,5R)-tert-Butyl 3,5-diMethylpiperazine-1-carboxylate;(3R,5R)-1-Boc-3,5-diMethylpiperazine;tert-Butyl (3R,5R)-3,5-diMethylpiperazine-1-carboxylate;(3R,5R)-3,5-Dimethyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester
• CAS NO: 438049-91-3
• Molecular Formula: C₁₁H₂₂N₂O₂
• Molecular Weight: 214.30458
• Mol File: 438049-91-3.mol

Chemical Properties

• Boiling Point: 279.7°C at 760 mmHg
• Flash Point: 123°C
• Appearance: /
• Density: 0.97g/cm³
• Vapor Pressure: 0.00394mmHg at 25°C
• Refractive Index: 1.452
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.58±0.60(Predicted)
• CAS DataBase Reference: 1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-(438049-91-3)
• EPA Substance Registry System: 1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-(438049-91-3)

Safety Data

• Hazardous Substances Data: 438049-91-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)is used as a key intermediate in the preparation of 5HT3 modulators for the treatment of CINV (Chemotherapy-Induced Nausea and Vomiting) and IBS-D (Irritable Bowel Syndrome with Diarrhea). Its unique stereochemistry and structural features make it an important building block in the development of these therapeutic agents.
Additionally, this compound is used in the preparation of 5-HT2 receptor modulators, which have potential applications in the treatment of various neurological and psychiatric disorders, such as schizophrenia, anxiety, and depression. The selective modulation of 5-HT2 receptors by these agents can help in achieving a balanced therapeutic effect with minimal side effects.

InChI:InChI=1/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9-/m1/s1

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 

Relevant articles and documents

2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS

Compounds of formulae I, II and III: are disclosed as 5-HT3 inhibitors. The compounds are useful in treating CINV, IBS-D and other diseases and conditions.