브렛포스 PD G1 - ≥98% , CAS No.1148148-01-9

CAS: 1148148-01-9 Cat. No.: C282860 분자식: C₄₃H₆₃ClNO₂PPd 분자량: 798.8 EC 번호: 689-533-3 PubChem CID: 25112666

GRADE & PURITY ≥98%

Synonyms

BP-21209 | 브렛포스 팔라다사이클 | (브렛포스) 팔라듐(II) 페네틸아민 염화물;브렛포스 팔라다사이클;브렛포스 프레카탈리스트;CHLORO[2-(DICYCLOHEXYLPHOSPHINO)-3,6-DIMETHOXY-2',4', 6'-TRIISOPROPYL-1,1'-BIPHENYL][2-(2-AMINOETHYL)PHENYL]PALLADIUM(II);CH

Storage

2-8°C에서 보관

Shipped In

젖은 얼음

Specifications

동의어

BP-21209 | 브렛포스 팔라다사이클 | (브렛포스) 팔라듐(II) 페네틸아민 염화물;브렛포스 팔라다사이클;브렛포스 프레카탈리스트;CHLORO[2-(DICYCLOHEXYLPHOSPHINO)-3,6-DIMETHOXY-2',4', 6'-TRIISOPROPYL-1,1'-BIPHENYL][2-(2-AMINOETHYL)PHENYL]PALLADIUM(II);CH

사양 및 순도

≥98%

보관 조건

2-8°C에서 보관

배송

젖은 얼음

순수함

≥98%

이름과 식별자

Pubchem Sid

504769969

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769969

정식 스마일

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

이성체 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

분자량

798.8

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air sensitive
• 분자량: 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

XLogP3