Tributyl(1-propynyl)tin - ≥96% , CAS No.64099-82-7

CAS: 64099-82-7 Cat. No.: T335305 Molecular Weight: 329.1 EC Number: 626-507-2 PubChem CID: 2733165

GRADE & PURITY ≥96%

Synonyms

Tributyl(1-propynyl)tin, 95% | (1-Propynyl)tributylstannane | tributyl(prop-1-yn-1-yl)stannane | 1-tributylstannyl-prop-1-ine | tributyl(1-propynyl)stannane | tributyl (1-propynyl)stannane | tributyl(1-propynyl) tin | Tributyl(1-propynyl)tin | tributyl(1-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Application:

Tributyl(1-propynyl)tin can be used:

As a starting material in the synthesis of phenyl-substituted pyrimidine-dione by reacting with ethyl isocyanate via cycloaddition and Stille coupling reactions.

In the synthesis of 18F labeled triazolo quinoline derivative, a positron emission tomography (PET) ligand used in the in vivo imaging of metabotropic glutamate receptor type 1.

In one of the key synthetic steps for the synthesis of 4-(1-aryltriazol-4-yl)-tetrahydropyridines as potent mGluR1 antagonists.

Specifications

Synonyms

Tributyl(1-propynyl)tin, 95% | (1-Propynyl)tributylstannane | tributyl(prop-1-yn-1-yl)stannane | 1-tributylstannyl-prop-1-ine | tributyl(1-propynyl)stannane | tributyl (1-propynyl)stannane | tributyl(1-propynyl) tin | Tributyl(1-propynyl)tin | tributyl(1-

Specifications & Purity

≥96%

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

≥96%

Names and Identifiers

• Pubchem Sid: 504760969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760969
• Canonical Smiles: CCCC[Sn](CCCC)(CCCC)C#CC
• IUPAC Name: tributyl(prop-1-ynyl)stannane
• InChIKey: KCQJLTOSSVXOCC-UHFFFAOYSA-N
• INCHI: 1S/3C4H9.C3H3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1H3
• Isomeric SMILES: CCCC[Sn](CCCC)(CCCC)C#CC
• PubChem CID: 2733165
• UN Number: 2788
• Packing Group: II
• Molecular Weight: 329.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides
    • Class Metal acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• Class: Metal acetylides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal acetylides
• Alternative Parents: Trialkyltins Organic salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Metal acetylide - Trialkyltin - Hydrocarbon derivative - Organic salt - Organotin compound - Organometallic compound - Organic post-transition metal moeity - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as metal acetylides. These are organic compounds containing an acetylide group substituted with a metal atom.
• 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

• Refractive Index: n20D1.4830
• Boil Point(°C): 277° C
• Molecular Weight: 329.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 330.137 Da
• Monoisotopic Mass: 330.137 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 196.000
• 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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