4-Methylmorpholine N-oxide（NMO） - ≥97% , CAS No.7529-22-8

CAS: 7529-22-8 Cat. No.: M433594 分子式: C₅H₁₁NO₂ 分子量: 117.15 Beilstein Registry Number: 507437 EC番号: 231-391-8

GRADE & PURITY ≥97%

Synonyms

NMO

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

概要

4-Methylmorpholine N -oxide is an organic compound used as a co-oxidant along with OsO 4 and ruthenates in organic synthesis. In recent studies, it has been used as a catalyst in silylcyanation of aldehydes and ketones. Lyocell, a regenerated cellulose fiber, can be prepared using 4-methylmorpholine N -oxide in an eco-friendly manner.

Application

Non-metallic catalyst for the cyanosilylation of ketones. Co-oxidant for Sharpless asymmetric dihydroxylation in ionic liquids.

Specifications

同義語

NMO

仕様と純度

≥97%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

488186036

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488186036

カノニカル・スマイル

C[N+]1(CCOCC1)[O-]

IUPAC Name

4-methyl-4-oxidomorpholin-4-ium

InChIKey

LFTLOKWAGJYHHR-UHFFFAOYSA-N

INCHI

1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3

異性体SMILES

C[N+]1(CCOCC1)[O-]

WGKドイツ

1

分子量

117.15

Beilstein

507437

Reaxy-Rn

507437

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507437&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Trialkyl amine oxides Trisubstituted amine oxides and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Trialkyl amine oxide - N-oxide - Dialkyl ether - Ether - Trisubstituted n-oxide - Azacycle - Oxacycle - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• External Descriptors: morpholine N-oxide

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

化学的性質と物理的性質

• 感度: Moisture & Heat & Light sensitive
• 屈折率: 1.4201
• 沸点（°C）: 118.5 °C
• 融点（°C）: 180-184 °C (lit.)
• 分子量: 117.150 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 117.079 Da
• Monoisotopic Mass: 117.079 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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