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(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine, a chiral compound with the molecular formula C14H20N2, is characterized by its unique three-dimensional arrangement of atoms and the (3S)-(+)configuration, which defines its stereochemistry. (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine is widely recognized for its applications in organic synthesis and medicinal chemistry, where it serves as a versatile building block for the creation of pharmaceuticals and biologically active molecules. Its distinctive structure and properties render it an invaluable asset in the development of innovative drugs and other applications across the chemical and pharmaceutical sectors.

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  • 169749-99-9 Structure
  • Basic information

    1. Product Name: (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine
    2. Synonyms: (3S)-(+)-1-BENZYL-3-(METHYLAMINO)PYRROLIDINE;(S)-1-BENZYL-3-METHYLAMINOPYRROLIDINE;(S)-1-benzyl-N-methylpyrrolidin-3-amine;(S)-N-Benzyl-3-methylaminopyrrolidine;(S)-(1-Benzyl-pyrrolidin-3-yl)-methyl-amine;(3S)-1-benzyl-N-Methylpyrrolidin-3-aMine;(3S)-1-Benzyl-N-methyl-3-pyrrolidinamine;(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine
    3. CAS NO:169749-99-9
    4. Molecular Formula: C12H18N2
    5. Molecular Weight: 190.28
    6. EINECS: N/A
    7. Product Categories: 3-Aminopyrrolidines;Amines (Chiral);Chiral 3-Aminopyrrolidines;Chiral Building Blocks;Synthetic Organic Chemistry
    8. Mol File: 169749-99-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 273.066 °C at 760 mmHg
    3. Flash Point: 105.62 °C
    4. Appearance: /
    5. Density: 0,99 g/cm3
    6. Vapor Pressure: 0.006mmHg at 25°C
    7. Refractive Index: 3 ° (C=10, EtOH)
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 10.16±0.20(Predicted)
    11. CAS DataBase Reference: (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine(CAS DataBase Reference)
    12. NIST Chemistry Reference: (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine(169749-99-9)
    13. EPA Substance Registry System: (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine(169749-99-9)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22-52
    3. Safety Statements: N/A
    4. RIDADR: 2735
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 8
    8. PackingGroup: III
    9. Hazardous Substances Data: 169749-99-9(Hazardous Substances Data)

169749-99-9 Usage

Uses

Used in Organic Synthesis:
(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine is utilized as a key intermediate in organic synthesis for the preparation of a variety of complex organic molecules. Its unique structure allows for the efficient construction of target compounds, enhancing the overall synthetic process.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine is employed as a building block for the synthesis of pharmaceuticals. Its stereochemistry and structural features are crucial for the development of new drugs with improved efficacy and selectivity.
Used in Pharmaceutical Industry:
(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine is used as a precursor in the pharmaceutical industry for the production of various drugs. Its unique properties enable the creation of molecules with specific therapeutic effects, contributing to the advancement of novel treatments for a range of diseases.
Used in Biologically Active Molecule Synthesis:
(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine is also used as a component in the synthesis of biologically active molecules. Its incorporation into these molecules can lead to enhanced biological activity, making it a valuable tool in the development of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 169749-99-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,9,7,4 and 9 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 169749-99:
(8*1)+(7*6)+(6*9)+(5*7)+(4*4)+(3*9)+(2*9)+(1*9)=209
209 % 10 = 9
So 169749-99-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H18N2/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m0/s1

169749-99-9 Well-known Company Product Price

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  • TCI America

  • (B1583)  (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine  >98.0%(GC)

  • 169749-99-9

  • 5g

  • 1,650.00CNY

  • Detail
  • TCI America

  • (B1583)  (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine  >98.0%(GC)

  • 169749-99-9

  • 25g

  • 5,990.00CNY

  • Detail

169749-99-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name (S)-N-Benzyl-3-methylaminopyrrolidine

1.2 Other means of identification

Product number -
Other names (S)-1-Benzyl-3-methylaminopyrrolidine

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:169749-99-9 SDS

169749-99-9Relevant articles and documents

JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF

-

Paragraph 0216-0222, (2018/06/07)

Janus kinase 1 selective inhibitors and pharmaceutical use thereof are provided.

Quinolizinone type compounds

-

, (2008/06/13)

Antibacterial compounds having the formula STR1 and the pharmaceutically acceptable salts, esters and amides thereof, preferred examples of which include those compounds wherein A is =CR6 --; R1 is cycloalkyl of from three to eight carbon atoms or substituted phenyl; R2 is selected from the group consisting of STR2 R3 is halogen; R4 is hydrogen, loweralkyl, a pharmaceutically acceptable cation, or a prodrug ester group; R5 is hydrogen, loweralkyl, halo(loweralkyl), or --NR13 R14 ; and R6 is halogen, loweralkyl, halo(loweralkyl), hydroxy-substituted loweralkyl, loweralkoxy(loweralkyl), loweralkoxy, or amino(loweralkyl), as well as pharmaceutical compositions containing such compounds and the use of the same in the treatment of bacterial infections.

Fluoronaphthyridines and -quinolines as Antibacterial Agents. 5. Synthesis and Antimicrobial Activity of Chiral 1-tert-Butyl-6-fluoro-7-substituted-naphthyridones

Cesare, P. Di,Bouzard, D.,Essiz, M.,Jacquet, J. P.,Ledoussal, B.,et al.

, p. 4205 - 4213 (2007/10/02)

A series of novel 7-substituted-1-tert-butyl-6-fluoronaphthyridone-3-carboxylic acids has been prepared.These derivatives are characterized by chiral aminopyrrolidine substituents at the 7 position.In this paper we report the full details of the asymmetric synthesis of this series of compounds.Structure-activity relationship studies indicate that the absolute stereochemistry at the asymmetric centers of the pyrrolidine ring is critical for maintaining good activity.Compounds 60 and 61 (3-amino-4-methylpyrrolidine enantiomers) were selected for preclinical evaluation.

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