(S)-2-(Methoxymethyl)pyrrolidine - ≥99% , CAS No.63126-47-6

CAS: 63126-47-6 Cat. No.: M121135 Molecular Weight: 115.17 Beilstein Registry Number: 3587324 EC Number: 626-212-9

GRADE & PURITY ≥99%

Synonyms

(S)-(+)-2-(METHOXYMETHYL)PYRRPLIDINE | SCHEMBL60633 | AS-11139 | PYRROLIDINE, 2-(METHOXYMETHYL)-, (2S)- | EN300-318141 | (S)-(+)-2-(Methoxymethyl)pyrrolidine | (S)-(+)-2-(methoxymethyl)-pyrrolidine | AKOS015851527 | (S)-(+)-2-(Methoxymethyl)pyrolidine | (

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Chiral auxiliary for asymmetric synthesis of propargy alcohols1 and 4-nitrocyclohexanones, and for asymmetric Michael additions to enones.

Specifications

Synonyms

(S)-(+)-2-(METHOXYMETHYL)PYRRPLIDINE | SCHEMBL60633 | AS-11139 | PYRROLIDINE, 2-(METHOXYMETHYL)-, (2S)- | EN300-318141 | (S)-(+)-2-(Methoxymethyl)pyrrolidine | (S)-(+)-2-(methoxymethyl)-pyrrolidine | AKOS015851527 | (S)-(+)-2-(Methoxymethyl)pyrolidine | (

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488191033
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191033
• Canonical Smiles: COCC1CCCN1
• IUPAC Name: (2S)-2-(methoxymethyl)pyrrolidine
• InChIKey: CHPRFKYDQRKRRK-LURJTMIESA-N
• INCHI: 1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
• Isomeric SMILES: COC[C@@H]1CCCN1
• WGK Germany: 3
• Molecular Weight: 115.17
• Beilstein: 3587324
• Reaxy-Rn: 4653083
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4653083&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 Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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: Not available

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: 1.45
• Specific Rotation[α]: +38° (C=2,1mol/L HCl)
• Flash Point(°F): 113 °F
• Flash Point(°C): 45°C(Lit.)
• Boil Point(°C): 68°C/35mmHg
• Molecular Weight: 115.170 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• 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