50463-25-7

Basic information

• Product Name: 2-METHYLPROPANE-1-D1
• Synonyms: 2-METHYLPROPANE-1-D1;2-Methylpropane-1-D1 (gas)
• CAS NO: 50463-25-7
• Molecular Formula: C₄H₁₀
• Molecular Weight: 59.13
• Mol File: 50463-25-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Density: 0.622 g/cm³
• CAS DataBase Reference: 2-METHYLPROPANE-1-D1(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYLPROPANE-1-D1(50463-25-7)
• EPA Substance Registry System: 2-METHYLPROPANE-1-D1(50463-25-7)

Safety Data

• Hazardous Substances Data: 50463-25-7(Hazardous Substances Data)

Upstream product

• 67108-87-6 (η5-pentamethylcyclopentadienyl)2(zirconium)(D)(CH2CD(CH3)2) 
• 67108-86-5 (η5-pentamethylcyclopentadienyl)2(zirconium)(H)(iosbutyl)2 

Downstream Products

• 75-28-5 Isobutane 

Relevant articles and documents

Activation of benzene carbon-hydrogen bonds via photolysis or thermolysis of (η5-C5Me5)2Zr(alkyl)H. Isolation of (η5-C5Me5)2Zr(C 6H5)H and its conversion to a complex containing a tetramethylfulvene ligand

A new high-yield synthesis of Cp*2ZrH2 (Cp* = η5-C5Me5) is described, and olefin insertion into its Zr-H bond is used to prepare several new Cp*2Zr(alkyl)H complexes. Photolysis or thermolysis of Cp*2Zr(alkyl)H in benzene yields the respective alkane by intramolecular reductive elimination of the cis alkyl and hydride ligands, as well as the benzene C-H bond activation product Cp*2Zr(C6H5)H. Photochemically induced reductive elimination is also observed for Cp*2Zr(C6H5)H and Cp*2ZrH2. Deuterium-labeling experiments show that hydrogen exchange between the hydride and Cp* methyl groups occurs in both Cp*2Zr(H)CH2CH(CH3)2 and Cp*2Zr(C6H5)H. An additional exchange process in Cp*2Zr(C6H5)H involves the hydride ligand and an ortho phenyl hydrogen atom. Thermolysis of Cp*2Zr(C6H5)H in benzene causes quantitative evolution of dihydrogen and reversibly forms the tetramethylfulvene complex Cp*(η6-C5Me4CH2)Zr(C 6H5). Reaction of this compound with iodine produces the Cp* ring substituted phenyl iodide Cp*(η5-C5Me4CH2I)Zr(C 6H5)I. Several of the transformations involving Cp*2Zr(C6H5)H are believed to proceed via β-hydrogen elimination from the phenyl group to yield a benzyne dihydride intermediate.