Trimethylene Oxide - ≥98%(GC) , CAS No.503-30-0

CAS: 503-30-0 Cat. No.: T162173 분자식: C₃H₆O 분자량: 58.08 Beilstein Registry Number: 102382 EC 번호: 207-964-3 PubChem CID: 10423

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-128688 | MFCD00005167 | Oxetane | PROPYLENE OXIDE, 1,3- | Oxetan | Q-201891 | FT-0658954 | Q418107 | Trimethylene oxide, purum, >=97.0% (GC) | alpha,gamma-Propane oxide | Propane, 1,3-epoxy- | BB 0261512 | NSC 30086 | 1,3-EPOXYPROPANE [HSDB] | CCRIS

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Trimethylene oxide useful for the synthesis of 3-substituted propanols by reaction with Grignards or organolithiums in the presence of CuBr. Trimethylene oxide is a strained cyclic ether which can be used to replace carbonyl / gem-dimethyl groups during molecular modelling of bioactive molecules. It can be incorporated in various bioactive molecule and drug substances for its improved physicochemical properties, via novel C-H activation methods. Trimethylene oxide can also be used in the synthesis of poly(trimethylene oxide) and related polymer electrolytes.

Specifications

동의어

EN300-128688 | MFCD00005167 | Oxetane | PROPYLENE OXIDE, 1,3- | Oxetan | Q-201891 | FT-0658954 | Q418107 | Trimethylene oxide, purum, >=97.0% (GC) | alpha,gamma-Propane oxide | Propane, 1,3-epoxy- | BB 0261512 | NSC 30086 | 1,3-EPOXYPROPANE [HSDB] | CCRIS

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 508811614
• 정식 스마일: C1COC1
• IUPAC Name: oxetane
• InChIKey: AHHWIHXENZJRFG-UHFFFAOYSA-N
• INCHI: 1S/C3H6O/c1-2-4-3-1/h1-3H2
• 이성체 SMILES: C1COC1
• WGK 독일: 1
• RTECS: RQ6825000
• PubChem CID: 10423
• UN 번호: 1280
• 포장 그룹: I
• 분자량: 58.08
• Beilstein: 102382
• Reaxy-Rn: 102382

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
• External Descriptors: saturated organic heteromonocyclic parent - oxetanes

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

작용 메커니즘

화학 및 물리적 특성

• 감도: air、Moisture、heat sensitive
• 굴절률: 1.393
• 발화점(°F): -18°F
• 발화점(°C): -28°C
• 끓는점(°C): 49-50℃
• 녹는점(°C): -97℃
• 분자량: 58.080 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 58.0419 Da
• Monoisotopic Mass: 58.0419 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 17.200
• 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