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    Di-tert-butylcyclopentadiene

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      Di-tert-butylcyclopentadiene

      SKU
      B0136

      Category: Building Blocks, Intermediates, Reagents

      Synonyms
      Di-tert-butyl-1,3-cyclopentadiene
      120937-44-2
      CAS-Number
      C13H22
      Molecular Formula
      178.31
      Molecular Weight

      • Product Data
      • Handling
      • Safety Information
      • Details

      Specifications

      Purity
      ≥95% (GC)
      Identity
      1H-NMR
      Appearance
      Transparent to yellow oil

      Properties

      Density
      0.836 g/mL at 20 °C (lit.)
      Refractive Index
      n20/D 1.467
      Boiling Point
      60-61°C / 4 torr
      Solvents
      organic solvents

      Downloads

      Safety Data Sheet
      CDX B0136 MSDS.pdf
      Long Term Storage
      -20°C
      Use / Stability
      Stable for at least 2 years after receipt when stored at -20°C.
      Handling Advice
      Protect from light and moisture.
      Short Term Storage
      +4°C
      Shipping
      AMBIENT
      Transportation
      Packing Group II
      RIDADR
      UN3295 3
      Signal word
      Danger
      GHS Symbol
      GHS02+GHS07
      Precautionary statements
      P210-P261-P305 + P351 + P338
      Hazard statements
      H225-H315-H319-H335
      Description
      Building block for synthesis. Frequently used as precursors to di-tert-butylcyclopentadienyl (Cpt) ligand in many sandwich and half sandwich complexes. Di-tert-butylcyclopentadiene reacts with excess potassium tert-butoxide in the presence of elemental selenium to yield cyclopentadienes bridged by two or three selenium atoms through one or two diselenoketal functionalities. It reacts with excess potassium tert-butoxide in the presence of elemental sulfur to yield cyclopentadienes bridged by sulfur atoms via one or two dithioketal functionalities.
      InChi
      InChI=1S/C13H22/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-10H,1-6H3
      References
      (1) C.G. Venier & E.W. Casserly , JACS 112, 2808 (1990) , (2) G. Thaler, et al.: Eur. J. Inorg. Chem. 7, 973 (1998) , (3) A.V. Khvostov, et al.: Russ. Chem. Bull. 48, 2162 (1999) , (4) T.K. Hyster , e-EROS Encycl. Reag. Organ. Synth. (2015)
      InChi Key
      RADVPPBTEASJRZ-UHFFFAOYSA-N
      Smiles
      CC(C)(C)C1=CC(C(C)(C)C)C=C1

      Building block for synthesis. Frequently used as precursors to di-tert-butylcyclopentadienyl (Cpt) ligand in many sandwich and half sandwich complexes. Di-tert-butylcyclopentadiene reacts with excess potassium tert-butoxide in the presence of elemental selenium to yield cyclopentadienes bridged by two or three selenium atoms through one or two diselenoketal functionalities. It reacts with excess potassium tert-butoxide in the presence of elemental sulfur to yield cyclopentadienes bridged by sulfur atoms via one or two dithioketal functionalities.

      SKU: B0136 Category: Building Blocks, Intermediates, Reagents
      • Additional information

      Additional information

      Synonyms

      Di-tert-butyl-1,3-cyclopentadiene

      Purity

      ≥95% (GC)

      Appearance

      Transparent to yellow oil

      CAS-Number

      120937-44-2

      Molecular Formula

      C13H22

      Molecular Weight

      178.31

      Identity

      1H-NMR

      Solvents

      organic solvents

      Boiling Point

      60-61°C / 4 torr

      Refractive Index

      n20/D 1.467

      Density

      0.836 g/mL at 20 °C (lit.)

      Smiles

      CC(C)(C)C1=CC(C(C)(C)C)C=C1

      InChi Key

      RADVPPBTEASJRZ-UHFFFAOYSA-N

      Shipping

      AMBIENT

      Short Term Storage

      +4°C

      Long Term Storage

      -20°C

      Handling Advice

      Protect from light and moisture.

      Use / Stability

      Stable for at least 2 years after receipt when stored at -20°C.

      Hazard statements

      H225-H315-H319-H335

      Precautionary statements

      P210-P261-P305 + P351 + P338

      GHS Symbol

      GHS02+GHS07

      Signal word

      Danger

      RIDADR

      UN3295 3

      Transportation

      Packing Group II

      References

      (1) C.G. Venier & E.W. Casserly, JACS 112, 2808 (1990), (2) G. Thaler, et al.: Eur. J. Inorg. Chem. 7, 973 (1998), (3) A.V. Khvostov, et al.: Russ. Chem. Bull. 48, 2162 (1999), (4) T.K. Hyster, e-EROS Encycl. Reag. Organ. Synth. (2015)

      InChi

      InChI=1S/C13H22/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-10H,1-6H3

      Quantity

      5 ml, 25 ml, Bulk

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