(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2-silacyclopentane - ≥98%, ~2:1 mixture of diaste(REO)mers , CAS No.447440-43-9

CAS: 447440-43-9 Cat. No.: S281783 Molecular Weight: 267.83 EC Number: 684-530-3 PubChem CID: 10333223

GRADE & PURITY ≥98%, ~2:1 mixture of diaste(REO)mers

Synonyms

(S,S)-2-PHENYL-2-CHLORO-3,4-DIMETHYL-5-PHENYL-[1,3,2]-OXAZASILOLIDINE | DTXSID10438299 | (4S,5S)-2-Chloro-3,4-dimethyl-5-phenyl-2-(prop-2-en-1-yl)-1,3,2-oxazasilolidine | (4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-[1,3,2]oxazasilolidine | (4S,5S)-2-AL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(S, S)-2-PHENYL-2-CHLORO-3, 4-DIMETHYL-5-PHENYL-[1, 3, 2]-OXAZASILOLIDINE | DTXSID10438299 | (4S, 5S)-2-Chloro-3, 4-dimethyl-5-phenyl-2-(prop-2-en-1-yl)-1, 3, 2-oxazasilolidine | (4S, 5S)-2-Allyl-2-chloro-3, 4-dimethyl-5-phenyl-[1, 3, 2]oxazasilolidine | (4S, 5S)-2-AL

Specifications & Purity

≥98%, ~2:1 mixture of diaste(REO)mers

Legal Information

Patent WO 03/074534, WO 06/062901.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1C(O[Si](N1C)(CC=C)Cl)C2=CC=CC=C2
• IUPAC Name: (4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine
• InChIKey: XHCRAANIMMYPDV-APBZJUGRSA-N
• INCHI: 1S/C13H18ClNOSi/c1-4-10-17(14)15(3)11(2)13(16-17)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-,13+,17?/m0/s1
• Isomeric SMILES: C[C@H]1[C@@H](O[Si](N1C)(CC=C)Cl)C2=CC=CC=C2
• WGK Germany: 3
• PubChem CID: 10333223
• Molecular Weight: 267.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Oxacyclic compounds Organochlorosilanes Organic metalloid salts N-silyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Oxacycle - Organochlorosilane - Organoheterosilane - N-silyl compound - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosilicon compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: moisture sensitive
• Flash Point(°F): 100.4 °F
• Flash Point(°C): 38 °C
• Molecular Weight: 267.820 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 267.085 Da
• Monoisotopic Mass: 267.085 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 283.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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