(2-Bromoethoxy)-tert-butyldimethylsilane - ≥97% , CAS No.86864-60-0

CAS: 86864-60-0 Cat. No.: B122579 Molecular Weight: 239.23 EC Number: 675-780-4

GRADE & PURITY ≥97%

Synonyms

AMY42181 | (2-Bromoethoxy)dimethyl-tert-butylsilane | 2-(t-butyldimethylsiloxy)ethylbromide | S02895 | 2-bromo-1-tert-butyldimethylsiloxyethane | A24556 | (2-bromoethoxy)-t-butyl-dimethylsilane | 2-bromoethoxy-t-butyidimethylsilane | 2-tert-butyldimethyls

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Reagent for N-protection with the TBSO-ethyl group. Treatment with Jones reagent effects hydrolysis and concomitant oxidation leading to N-acetic acids for further synthetic elaboration.

Specifications

Synonyms

AMY42181 | (2-Bromoethoxy)dimethyl-tert-butylsilane | 2-(t-butyldimethylsiloxy)ethylbromide | S02895 | 2-bromo-1-tert-butyldimethylsiloxyethane | A24556 | (2-bromoethoxy)-t-butyl-dimethylsilane | 2-bromoethoxy-t-butyidimethylsilane | 2-tert-butyldimethyls

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762629
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762629
• Canonical Smiles: CC(C)(C)[Si](C)(C)OCCBr
• IUPAC Name: 2-bromoethoxy-tert-butyl-dimethylsilane
• InChIKey: JBKINHFZTVLNEM-UHFFFAOYSA-N
• INCHI: 1S/C8H19BrOSi/c1-8(2,3)11(4,5)10-7-6-9/h6-7H2,1-5H3
• Isomeric SMILES: CC(C)(C)[Si](C)(C)OCCBr
• WGK Germany: 3
• Molecular Weight: 239.23
• Reaxy-Rn: 4174157
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4174157&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Silyl ethers Organic metalloid salts Organooxygen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Silyl ether - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• 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.
• Refractive Index: 1.444
• Flash Point(°C): 73 °C
• Boil Point(°C): 70-75°C/2.5mmHg
• Molecular Weight: 239.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 238.039 Da
• Monoisotopic Mass: 238.039 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 118.000
• 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

XLogP3