330438-17-0

Basic information

• Product Name: N,N',N''-tris(2,6-diisopropylphenyl)guanidinotricarbonylmolybdenum⁽⁰⁾
• CAS NO: 330438-17-0
• Molecular Weight: 719.819
• Mol File: 330438-17-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: N,N',N''-tris(2,6-diisopropylphenyl)guanidinotricarbonylmolybdenum⁽⁰⁾(CAS DataBase Reference)
• NIST Chemistry Reference: N,N',N''-tris(2,6-diisopropylphenyl)guanidinotricarbonylmolybdenum⁽⁰⁾(330438-17-0)
• EPA Substance Registry System: N,N',N''-tris(2,6-diisopropylphenyl)guanidinotricarbonylmolybdenum⁽⁰⁾(330438-17-0)

Safety Data

• Hazardous Substances Data: 330438-17-0(Hazardous Substances Data)

Upstream product

• 330438-16-9 N,N''-bis(2,6-diisopropylphenyl)-N'-2,6-diisopropylphenylguanidine 
• 13939-06-5 molybdenum hexacarbonyl 

Relevant articles and documents

Preparation, x-ray structure, and dynamic solution behaviour of N,N′,N′-tris(2,6-diisopropylphenyl)-guanidine, and its reaction with molybdenum carbonyl

The reaction of N,N′-bis(2,6-diisopropylphenyl)carbodiimide with lithium 2,6-diisopropylanilide. quenching with water and recrystallization from heptane produces the symmetric guanidine [DipNH]2C=NDip which crystallizes in the triclinic system, space group P1, a = 10.6513(11), b = 10.8997(11), c = 16.2961(17) A, α = 80.524(12), β = 78.921(13), γ = 70.060(12)°, V = 1735.2(3) A3, Z = 2. The molecule crystallizes with three perpendicular 2,6-diisopropylphenyl groups, which surround and shield the central CN3 unit, and provide (almost) three-fold symmetry around the central atom. Its dynamic solution behaviour has been studied by VT NMR between -90 and +180°C, and is consistent with three distinct barriers to N - CAr rotation. Preliminary estimates of the Gibbs free energy of activation for the lower two barriers are 56 ± 2 and 73 ± 2 kJ mol-1. Reaction of the title compound with Mo(CO)6 in refluxing n-heptane produces [DipNH]2,C=NDip·Mo(CO)3, a complex in which Mo(CO)3 is η6-coordinated to one of the diisopropylphenyl rings.