4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate - ≥98%(HPLC) , CAS No.80149-80-0

CAS: 80149-80-0 Cat. No.: N139283 Molecular Weight: 283.35 Beilstein Registry Number: 4320585 EC Number: 279-406-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-trimethylsilanylethyl 4-nitrophenyl carbonate | 4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate, >=95.0% (NMR) | Carbonic acid, 4-nitrophenyl 2-(trimethylsilyl)ethyl ester | DTXSID10230093 | AMY39305 | 4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate | 4

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

Usually used for the introduction of the TEOC-amino protecting group which can be cleaved by F-.

application：

4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate can be used as:

A protecting group for an amine in one of the key synthetic steps of kottamide E total synthesis.

A starting material to prepare a cis-butene derivative, which is used as a polymer terminating agent in the synthesis of monotelechelic glycopolymers.

Specifications

Synonyms

2-trimethylsilanylethyl 4-nitrophenyl carbonate | 4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate, >=95.0% (NMR) | Carbonic acid, 4-nitrophenyl 2-(trimethylsilyl)ethyl ester | DTXSID10230093 | AMY39305 | 4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate | 4

Specifications & Purity

≥98%(HPLC)

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)CCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• IUPAC Name: (4-nitrophenyl) 2-trimethylsilylethyl carbonate
• InChIKey: ZAQWGGKIMQIVGM-UHFFFAOYSA-N
• INCHI: 1S/C12H17NO5Si/c1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16/h4-7H,8-9H2,1-3H3
• Isomeric SMILES: C[Si](C)(C)CCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• WGK Germany: 3
• Molecular Weight: 283.35
• Beilstein: 4320585
• Reaxy-Rn: 4320585
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4320585&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenoxy compounds Nitroaromatic compounds Carbonic acid diesters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkylsilanes Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Carbonic acid diester - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Organic metalloid salt - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Carbonyl group - Organosilicon compound - Alkylsilane - Organooxygen compound - Organonitrogen compound - Organic salt - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

• Solubility: Slightly soluble in water.
• Sensitivity: Sensitive to humidity; sensitive to light; sensitive to heat
• Melt Point(°C): 39 °C
• Molecular Weight: 283.350 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 283.088 Da
• Monoisotopic Mass: 283.088 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 315.000
• 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

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