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

CAS: 59983-39-0 Cat. No.: S161157 Peso molecular: 130.19 Beilstein Registry Number: 1523790 Número EC: 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

Descripción general

 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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: COC[C@@H]1CCCN1N
• WGK Alemania: 3
• PubChem CID: 7156993
• Peso molecular: 130.19
• Beilstein: 1523790
• Reaxy-Rn: 4857560

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Rotación específica [α]: -80°
• Punto de inflamación (°F): 161.6 °F
• Punto de inflamación (°C): 72 °C
• Punto de ebullición (°C): 64 °C
• Peso molecular: 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