(R)-DTBM-SEGPHOS - ≥98% , CAS No.566940-03-2

CAS: 566940-03-2 Cat. No.: D115799 Formula: C₇₄H₁₀₀O₈P₂ Peso molecolare: 1179.53 Numero EC: 811-694-7

GRADE & PURITY ≥98%

Synonyms

(R)-5,5 inverted exclamation mark -Bis[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4 inverted exclamation mark -bibenzo[d][1,3]dioxole | SY068562 | (S)-DTBM-SEGPHOS | (R)-(-)-DTBM-SEGPHOS(regR) | SCHEMBL28341 | ZNORAFJUESSLTM-UHFFFAOYSA-N | 3-(4-br

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Panoramica

Catalyst involved in: ? [3,3]-Sigmatropic rearrangements using cyclopropane probes ? Asymmetric intramolecular hydroacylation of ketoaldehydes Reactant involved in: ? The synthesis of gold-diphosphine complexes for use as catalysts ? Cycloaddition of allenenes to yield alkylidenecyclobutanes

Specifications

Sinonimi

(R)-5,5 inverted exclamation mark -Bis[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4 inverted exclamation mark -bibenzo[d][1,3]dioxole | SY068562 | (S)-DTBM-SEGPHOS | (R)-(-)-DTBM-SEGPHOS(regR) | SCHEMBL28341 | ZNORAFJUESSLTM-UHFFFAOYSA-N | 3-(4-br

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508806639

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508806639

Sorrisi canonici

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C

IUPAC Name

[4-[5-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane

InChIKey

ZNORAFJUESSLTM-UHFFFAOYSA-N

INCHI

1S/C74H100O8P2/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24/h29-40H,41-42H2,1-28H3

Isomeri SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C

WGK Germania

3

Peso molecolare

1179.53

Reaxy-Rn

8893429

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8893429&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Phenylpropanes Benzodioxoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic phosphines and derivatives Oxacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylphosphine - Phenylpropane - Benzodioxole - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Phenylphosphine - Alkyl aryl ether - Phosphine - Oxacycle - Organoheterocyclic compound - Ether - Acetal - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Air & Moisture & Light Sensitive
• Punto di fusione (°C): 144-145°C
• Peso molecolare: 1179.500 g/mol
• XLogP3: 21.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 1178.69 Da
• Monoisotopic Mass: 1178.69 Da
• Topological Polar Surface Area: 73.800 Ų
• Heavy Atom Count: 84
• Formal Charge: 0
• Complexity: 1750.000
• 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: 1