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(S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate is a chemical compound characterized by the molecular formula C15H28N4O2. It is a derivative of pyrrolidine, featuring a piperazine moiety, and is classified as a tertiary amine and ester. (S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate exhibits pharmacological properties that render it a promising candidate for various applications, particularly in the realm of medicinal chemistry. Its potential uses in drug discovery and development are currently under active research and investigation.

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  • 1010446-31-7 Structure
  • Basic information

    1. Product Name: (S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate
    2. Synonyms: (S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate;(3S)-3-(1-Piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
    3. CAS NO:1010446-31-7
    4. Molecular Formula: C13H25N3O2
    5. Molecular Weight: 255.3565
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1010446-31-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.090
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate(1010446-31-7)
    11. EPA Substance Registry System: (S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate(1010446-31-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1010446-31-7(Hazardous Substances Data)

1010446-31-7 Usage

Uses

Used in Medicinal Chemistry:
(S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate is utilized as a chemical intermediate for the synthesis of various pharmaceutical agents. Its unique structure and pharmacological properties make it a valuable component in the development of new drugs targeting specific biological pathways.
Used in Drug Discovery and Development:
In the field of drug discovery and development, (S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate serves as a key building block for designing novel therapeutic agents. Its potential applications in creating new drugs with improved efficacy and reduced side effects are being explored through ongoing research.
Used in Pharmaceutical Industry:
(S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate is used as a precursor in the synthesis of pharmaceutical compounds for various therapeutic areas. Its versatility and reactivity contribute to the development of innovative medications with enhanced pharmacological profiles.
Used in Research and Development:
(S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate is employed as a research tool in academic and industrial laboratories. It aids scientists in understanding the structure-activity relationships of various drug candidates and contributes to the advancement of medicinal chemistry knowledge.

Check Digit Verification of cas no

The CAS Registry Mumber 1010446-31-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,1,0,4,4 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1010446-31:
(9*1)+(8*0)+(7*1)+(6*0)+(5*4)+(4*4)+(3*6)+(2*3)+(1*1)=77
77 % 10 = 7
So 1010446-31-7 is a valid CAS Registry Number.

1010446-31-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name (S)-3-piperazin-1-yl-pyrrolidine-1-carboxylic acid tert-butyl ester

1.2 Other means of identification

Product number -
Other names (S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1010446-31-7 SDS

1010446-31-7Downstream Products

1010446-31-7Relevant articles and documents

SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE

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Page/Page column 97, (2008/06/13)

The present invention relates to novel benzimidazolone derivatives of the general formula (I) in which the substituents R1, R2, R3, A1, A2, and B are as defined in claim 1, medicaments comprising these, and the use thereof for the prophylaxis and/or treatment of vasopressin-dependent diseases.

SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS

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Page 40, (2010/02/07)

This invention concerns substituted I-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives having neurokinin antagonistic activity, in particular NK1 antagonistic activity, a combined NK1/NK3 antagonistic activity and a combined NK1/NK2/NK3 antagonistic activity, their preparation, compositions comprising them and their use as a medicine, in particular for the treatment of schizophrenia, anxiety, depression, emesis and IBS. The compounds according to the invention can be represented by general Formula (I) and comprises also the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substituents are defined as in Claim 1. In view of their capability to antagonize the actions of tachykinins by blocking the neurokinin receptors, and in particular antagonizing the actions of substance P and Neurokinin B by blocking the NK1, NK2 and NK3 receptors, the compounds according to the invention are useful as a medicine, in particular in the prophylactic and therapeutic treatment of tachykinin-mediated conditions, such as, for instance CNS disorders, in particular schizoaffective disorders, depression, anxiety disorders, stress-related disorders, sleep disorders, cognitive disorders, personality disorders, eating disorders, neurodegenerative diseases, addiction disorders, mood disorders, sexual dysfunction, pain and other CNS-related conditions ; inflammation ; allergic disorders ; emesis ; gastrointestinal disorders, in particular irritable bowel syndrome (IBS); skin disorders ; vasospastic diseases ; fibrosing and collagen diseases ; disorders related to immune enhancement or suppression and rheumatic diseases and body weight control.

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