(S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde - ≥98% , CAS No.63126-45-4

CAS: 63126-45-4 Cat. No.: M121138 Molecular Weight: 143.18 Beilstein Registry Number: 4377661 EC Number: 622-965-2

GRADE & PURITY ≥98%

Synonyms

AKOS015919241 | (S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde | 1-Pyrrolidinecarboxaldehyde,2-(methoxymethyl)-,(2S)- | (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde | (S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde, 98% | MFCD00010279 | M

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Chiral auxiliary reagent for asymmetric C-C coupling.

Specifications

Synonyms

AKOS015919241 | (S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde | 1-Pyrrolidinecarboxaldehyde, 2-(methoxymethyl)-, (2S)- | (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde | (S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde, 98% | MFCD00010279 | M

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 488197600
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197600
• Canonical Smiles: COCC1CCCN1C=O
• IUPAC Name: (2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde
• InChIKey: JNIOQRWRORXADR-ZETCQYMHSA-N
• INCHI: 1S/C7H13NO2/c1-10-5-7-3-2-4-8(7)6-9/h6-7H,2-5H2,1H3/t7-/m0/s1
• Isomeric SMILES: COC[C@@H]1CCCN1C=O
• WGK Germany: 3
• Molecular Weight: 143.18
• Beilstein: 4377661
• Reaxy-Rn: 39079003
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39079003&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: Tertiary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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: Light Sensitive,Air Sensitive,Heat Sensitive
• Refractive Index: n20/D 1.4755(lit.)
• Specific Rotation[α]: [α]20/D -34°, c = 2 in toluene
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 67°C/0.25mmHg
• Molecular Weight: 143.180 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 143.095 Da
• Monoisotopic Mass: 143.095 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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