Cas no 1142811-12-8 (ditert-butyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane;palladium(2+);2-phenylethanamine;chloride)

ditert-butyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane;palladium(2+);2-phenylethanamine;chloride structure
1142811-12-8 structure
Product Name:ditert-butyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane;palladium(2+);2-phenylethanamine;chloride
CAS No:1142811-12-8
MF:C37H55ClNPPd
MW:686.68606877327
MDL:MFCD12911909
CID:1066904
PubChem ID:329762821
Update Time:2025-04-20

ditert-butyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane;palladium(2+);2-phenylethanamine;chloride Chemical and Physical Properties

Names and Identifiers

    • chloropalladium(1+),ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane,2-phenylethanamine
    • Palladium, [2-[2-(amino-κN)ethyl]phenyl-κC][bis(1,1-dimethylethyl)[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine]chloro-
    • tBuXPhos Pd G1
    • t-BuXPhos palladium(II) phenethylamine chloride
    • tBuXPhos-Pd-G1
    • t-BuXPhos Palladacycle
    • t-BuXPhos precatalyst
    • SC10483
    • CHLORO[2-(DI-TERT-BUTYLPHOSPHINO)-2',4',6'-TRIISOPROPYL-1,1'-BIPHENYL][2-(2-AMINOETHYL)PHENYL]PALLADIUM(II)
    • Chloro[2-(di-tert-butylphosphino)-2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenyl][2-(2-aminoethyl)phenyl)]palladium(II)
    • [2-(DI-TERT-BUTYLPHOSPHINO)-2',4',6'-
    • CHLORO(2-DI-T-BUTYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL)[2-(2-AMINOETHYL)PHENYL] PALLADIUM(II)
    • CID 71310817
    • tBuXPhosPdG1
    • chloropalladium(1+);ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine
    • SY058923
    • Chloro(2-di-t-butylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II)
    • Chloro[2-(di-tert-butylphosphino)-2 inverted exclamation mark ,4 inverted exclamation mark ,6 inv
    • ditert-butyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane;palladium(2+);2-phenylethanamine;chloride
    • Chloro[2-(di-tert-butylphosphino)-2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -triisopropyl-1,1 inverted exclamation mark -biphenyl][2-(2-aminoethyl)phenyl)]palladium(II)
    • Chloro[2-(di-tert-butylphosphino)-2',4',6'-triisopropyl-1,1'-biphenyl][2-(2-aminoethyl)phenyl)]palladium(II)
    • 1142811-12-8
    • CHLORO[2-(DI-TERT-BUTYLPHOSPHINO)-2,4,6-TRIISOPROPYL-1,1-BIPHENYL][2-(2-AMINOETHYL)PHENYL)]PALLADIUM(II)
    • MFCD12911909
    • [2-[2-(Amino-kappaN)ethyl]phenyl-kappaC][bis(1,1-dimethylethyl)[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine]chloropalladium
    • A11749
    • MDL: MFCD12911909
    • Inchi: 1S/C29H45P.C8H10N.ClH.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;9-7-6-8-4-2-1-3-5-8;;/h13-21H,1-12H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1
    • InChI Key: GITFHTZGVMIBGS-UHFFFAOYSA-M
    • SMILES: [Pd+]Cl.P(C1C=CC=CC=1C1C(=CC(C(C)C)=CC=1C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C.NCCC1C=CC=C[C-]=1

Computed Properties

  • Exact Mass: 685.27955g/mol
  • Monoisotopic Mass: 685.27955g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 9
  • Complexity: 658
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26

Experimental Properties

  • Melting Point: 150-159?°C

ditert-butyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane;palladium(2+);2-phenylethanamine;chloride Security Information

  • Symbol: GHS07 GHS08
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335-H351
  • Warning Statement: P261-P281-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38-40
  • Safety Instruction: 26-36/37
  • Hazardous Material Identification: Xn
  • Storage Condition:Inert atmosphere,Room Temperature

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