1242049-31-5

Basic information

• Product Name: [(3,5-t-Bu₂C₆H₃NCH₂CH₂)2NCH₂(2-mesitylpyrrolyl)^(3-)]Mo(NMe₂)
• CAS NO: 1242049-31-5
• Molecular Weight: 814.065
• Mol File: 1242049-31-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [(3,5-t-Bu₂C₆H₃NCH₂CH₂)2NCH₂(2-mesitylpyrrolyl)^(3-)]Mo(NMe₂)(CAS DataBase Reference)
• NIST Chemistry Reference: [(3,5-t-Bu₂C₆H₃NCH₂CH₂)2NCH₂(2-mesitylpyrrolyl)^(3-)]Mo(NMe₂)(1242049-31-5)
• EPA Substance Registry System: [(3,5-t-Bu₂C₆H₃NCH₂CH₂)2NCH₂(2-mesitylpyrrolyl)^(3-)]Mo(NMe₂)(1242049-31-5)

Safety Data

• Hazardous Substances Data: 1242049-31-5(Hazardous Substances Data)

Upstream product

• 1242049-26-8 N(CH₂CH₂NHC₆H₃(C(CH₃)3)2)2CH₂C₄H₂NHC₆H₂(CH₃)3 
• 100207-68-9 tetrakis(dimethylamido)molybdenum(IV) 

Relevant articles and documents

Synthesis of diamidopyrrolyl molybdenum complexes relevant to reduction of dinitrogen to ammonia

A potentially useful trianionic ligand for the reduction of dinitrogen catalytically by molybdenum complexes is one in which one of the arms in a [(RNCH2CH2)3N]3- ligand is replaced by a 2-mesitylpyrrolyl-α-methyl arm, that is, [(RNCH2CH 2)2NCH2(2-MesitylPyrrolyl)]3- (R = C6F5, 3,5-Me2C6H3, or 3,5-t-Bu2C6H3). Compounds have been prepared that contain the ligand in which R = C6F5 ([C 6F5N)2Pyr]3-); they include [(C 6F5N)2Pyr]Mo(NMe2), [(C 6F5N)2Pyr]MoCl, [(C6F 5N)2Pyr]MoOTf, and [(C6F5N) 2Pyr]MoN. Compounds that contain the ligand in which R = 3,5-t-Bu2C6H3 ([Art-BuN) 2Pyr]3-) include {[(Art-BuN) 2Pyr]Mo(N2)}Na(15-crown-5), {[(Art-BuN) 2Pyr]Mo(N2)}[NBu4], [(Art-BuN) 2Pyr]Mo(N2) (νNN = 2012 cm-1 in C6D6), {[(Art-BuN)2Pyr]Mo(NH 3)}BPh4, and [(Art-BuN)2Pyr]Mo(CO). X-ray studies are reported for [(C6F5N) 2Pyr]Mo(NMe2), [(C6F5N) 2Pyr]MoCl, and [(Art-BuN)2Pyr]MoN. The [(Art-BuN)2Pyr]Mo(N2)0/- reversible couple is found at -1.96 V (in PhF versus Cp2Fe+/0), but the [(Art-BuN)2Pyr]Mo(N2)+/0 couple is irreversible. Reduction of {[(Art-BuN)2Pyr]Mo(NH 3)}BPh4 under Ar at approximately -1.68 V at a scan rate of 900 mV/s is not reversible. Ammonia in [(Art-BuN) 2Pyr]Mo(NH3) can be substituted for dinitrogen in about 2 h if 10 equiv of BPh3 are present to trap the ammonia that is released. [(Art-BuN)2Pyr]Mo-N=NH is a key intermediate in the proposed catalytic reduction of dinitrogen that could not be prepared. Dinitrogen exchange studies in [(Art-BuN)2Pyr]Mo(N 2) suggest that steric hindrance by the ligand may be insufficient to protect decomposition of [(Art-BuN)2Pyr]Mo-N =NH through a variety of pathways. Three attempts to reduce dinitrogen catalytically with [(Art-BuN)2Pyr]Mo(N) as a catalyst yielded an average of 1.02 ± 0.12 equiv of NH3.