(S)-(-)-1-Amino-2-(methoxymethyl)pyrrolidine - ≥95% , CAS No.59983-39-0

CAS: 59983-39-0 Cat. No.: S161157 Molecular Weight: 130.19 Beilstein Registry Number: 1523790 EC Number: 672-763-3 PubChem CID: 7156993

GRADE & PURITY ≥95%

Synonyms

AKOS015855056 | AM9645 | (S)-N-amino-2-(methoxymethyl)pyrrolidine | SCHEMBL1203933 | [S]-(-)-1-amino-2-(methoxymethyl)pyrrolidine | AS-64519 | (S)-(-)-1-Amino-2-(methoxymethyl)pyrrolidine, 95% | (S)-1-Amino-2-(methoxymethyl)pyrrolidine | SAMP | (S)-1-AMIN

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

 Product Application：

(S)-(-)-1-Amino-2-(methoxymethyl)pyrrolidine may be used as a chiral auxiliary in the asymmetric synthesis of (S)-2-ethylhexanoic acid and (S)-2-n-propyl-4-pentenoic acid. It can undergo 1,4-addition to (E)-alkenyl-cyclohexyl sulfonates in the presence of zinc bromide to form β-hydrazino-cyclohexyl sulfonates.

Specifications

Synonyms

AKOS015855056 | AM9645 | (S)-N-amino-2-(methoxymethyl)pyrrolidine | SCHEMBL1203933 | [S]-(-)-1-amino-2-(methoxymethyl)pyrrolidine | AS-64519 | (S)-(-)-1-Amino-2-(methoxymethyl)pyrrolidine, 95% | (S)-1-Amino-2-(methoxymethyl)pyrrolidine | SAMP | (S)-1-AMIN

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COCC1CCCN1N
• IUPAC Name: (2S)-2-(methoxymethyl)pyrrolidin-1-amine
• InChIKey: BWSIKGOGLDNQBZ-LURJTMIESA-N
• INCHI: 1S/C6H14N2O/c1-9-5-6-3-2-4-8(6)7/h6H,2-5,7H2,1H3/t6-/m0/s1
• Isomeric SMILES: COC[C@@H]1CCCN1N
• WGK Germany: 3
• PubChem CID: 7156993
• Molecular Weight: 130.19
• Beilstein: 1523790
• Reaxy-Rn: 4857560

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: Dialkyl ethers Azacyclic compounds Alkylhydrazines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Alkylhydrazine - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - 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
• Specific Rotation[α]: -80°
• Flash Point(°F): 161.6 °F
• Flash Point(°C): 72 °C
• Boil Point(°C): 64 °C
• Molecular Weight: 130.190 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 130.111 Da
• Monoisotopic Mass: 130.111 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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