tert-Butyldimethylsilanol - ≥95% , CAS No.18173-64-3

CAS: 18173-64-3 Cat. No.: B305235 Molecular Weight: 132.28 EC Number: 629-090-5

GRADE & PURITY ≥95%

Synonyms

TBSOH | Q63392797 | S03322 | Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl- | tert-butyl-hydroxy-dimethylsilane | SY106641 | t-Butyl dimethyl silanol | dimethyl tert-butyl silanol | LEW8F2A2ZV | Silanol, tert-butyldimethyl- | tert-Butyldimethylsilanol | 1-(

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

tert-Butyldimethylsilanol can be used as a silylating agent for the protection of hydroxyl groups via silylation. It is used:

• For the preparation of α-chiral ether derivatives by catalytic asymmetric allylic substitution.

• As an initiator for the polymerization of 1,2 benzenedicarboxaldehyde.

• In the synthesis of enol silyl ethers.

Specifications

Synonyms

TBSOH | Q63392797 | S03322 | Silanol, 1-(1, 1-dimethylethyl)-1, 1-dimethyl- | tert-butyl-hydroxy-dimethylsilane | SY106641 | t-Butyl dimethyl silanol | dimethyl tert-butyl silanol | LEW8F2A2ZV | Silanol, tert-butyldimethyl- | tert-Butyldimethylsilanol | 1-(

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504759238
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759238
• Canonical Smiles: CC(C)(C)[Si](C)(C)O
• IUPAC Name: tert-butyl-hydroxy-dimethylsilane
• InChIKey: FGWRMMTYIZKYMA-UHFFFAOYSA-N
• INCHI: 1S/C6H16OSi/c1-6(2,3)8(4,5)7/h7H,1-5H3
• Isomeric SMILES: CC(C)(C)[Si](C)(C)O
• Molecular Weight: 132.28
• Reaxy-Rn: 1732777
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732777&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: Trialkylsilanols Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Trialkylsilanol - Organic metalloid salt - Silanol - Organic oxygen compound - Hydrocarbon derivative - Organic salt - 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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L6 (7924 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: n20/D 1.424(lit.)
• Flash Point(°C): 45°C(lit.)
• Boil Point(°C): 139°C(lit.)
• Melt Point(°C): 18 °C
• Molecular Weight: 132.280 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 132.097 Da
• Monoisotopic Mass: 132.097 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 81.000
• 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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