BrettPhos Pd G1 - ≥98% , CAS No.1148148-01-9

CAS: 1148148-01-9 Cat. No.: C282860 Formule: C₄₃H₆₃ClNO₂PPd Poids moléculaire: 798.8 Numéro CE: 689-533-3 PubChem CID: 25112666

GRADE & PURITY ≥98%

Synonyms

BP-21209 | BrettPhos Palladacycle | (BRETTPHOS) PALLADIUM(II) PHENETHYLAMINE CHLORIDE;BRETTPHOS PALLADACYCLE;BRETTPHOS PRECATALYST;CHLORO[2-(DICYCLOHEXYLPHOSPHINO)-3,6-DIMETHOXY-2',4', 6'-TRIISOPROPYL-1,1'-BIPHENYL][2-(2-AMINOETHYL)PHENYL]PALLADIUM(II);CH

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

BP-21209 | BrettPhos Palladacycle | (BRETTPHOS) PALLADIUM(II) PHENETHYLAMINE CHLORIDE;BRETTPHOS PALLADACYCLE;BRETTPHOS PRECATALYST;CHLORO[2-(DICYCLOHEXYLPHOSPHINO)-3,6-DIMETHOXY-2',4', 6'-TRIISOPROPYL-1,1'-BIPHENYL][2-(2-AMINOETHYL)PHENYL]PALLADIUM(II);CH

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504769969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769969
• Sourires canoniques: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]
• IUPAC Name: chloropalladium(1+);dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine
• InChIKey: IWMMXPNBCHCFCY-UHFFFAOYSA-M
• INCHI: 1S/C35H53O2P.C8H10N.ClH.Pd/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28;9-7-6-8-4-2-1-3-5-8;;/h19-25,27-28H,9-18H2,1-8H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1
• Isomères SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]
• PubChem CID: 25112666
• Poids moléculaire: 798.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Monocyclic monoterpenoids Aromatic monoterpenoids Dimethoxybenzenes Phenylpropanes Phenethylamines Cumenes Phenoxy compounds 2-arylethylamines Anisoles Alkyl aryl ethers Aralkylamines Organic phosphines and derivatives Organic metal halides Organic transition metal salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Biphenyl - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - P-dimethoxybenzene - Dimethoxybenzene - Cumene - Phenethylamine - Phenylpropane - Anisole - Phenoxy compound - 2-arylethylamine - Methoxybenzene - Phenol ether - Aralkylamine - Alkyl aryl ether - Phosphine - Organic metal salt - Organic transition metal salt - Organic metal halide - Ether - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organophosphorus compound - Organic oxygen compound - Amine - Primary amine - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Poids moléculaire: 798.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 797.332 Da
• Monoisotopic Mass: 797.332 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 816.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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