(S)-2-(Aminomethyl)pyrrolidine - ≥95% , CAS No.69500-64-7

CAS: 69500-64-7 Cat. No.: A121649 Molecular Weight: 100.16 EC Number: 633-270-9

GRADE & PURITY ≥95%

Synonyms

[(2S)-pyrrolidin-2-yl]methanamine | MFCD00191745 | AKOS006238372 | AUKXFNABVHIUAC-YFKPBYRVSA-N | (S)-pyrrolidin-2-ylmethylamine | A854903 | DB03253 | FD10638 | EN300-1266321 | 1-[(2S)-pyrrolidin-2-yl]methanamine | SCHEMBL83314 | (S)-pyrrolidin-2-ylmethana

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product Application:

(S)-(+)-2-(Aminomethyl)pyrrolidine can be used as an organocatalyst:

1.For the asymmetric transformation of (S)-alanine.

2.In the asymmetric α-fluorination of linear and branched aldehydes using N-fluorobenzenesulfonamide as the fluorinating agent.

3.It can also be used as a reactant to prepare Schiff base metal complexes with pyrrolidine fragment as a ligand in asymmetric synthesis.

Specifications

Synonyms

[(2S)-pyrrolidin-2-yl]methanamine | MFCD00191745 | AKOS006238372 | AUKXFNABVHIUAC-YFKPBYRVSA-N | (S)-pyrrolidin-2-ylmethylamine | A854903 | DB03253 | FD10638 | EN300-1266321 | 1-[(2S)-pyrrolidin-2-yl]methanamine | SCHEMBL83314 | (S)-pyrrolidin-2-ylmethana

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC(NC1)CN
• IUPAC Name: [(2S)-pyrrolidin-2-yl]methanamine
• InChIKey: AUKXFNABVHIUAC-YFKPBYRVSA-N
• INCHI: 1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2/t5-/m0/s1
• Isomeric SMILES: C1C[C@H](NC1)CN
• WGK Germany: 3
• Molecular Weight: 100.16
• Reaxy-Rn: 79841
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=79841&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: pyrrolidin-2-ylmethylamine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.482
• Flash Point(°F): 116.6 °F
• Flash Point(°C): 47 °C
• Boil Point(°C): 65°C/11mmHg
• Molecular Weight: 100.160 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.1 Da
• Monoisotopic Mass: 100.1 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1