Tris(o-methoxyphenyl)phosphine - ≥96% , CAS No.4731-65-1

CAS: 4731-65-1 Cat. No.: T115589 Molecular Weight: 352.36 EC Number: 225-235-8 PubChem CID: 78464

GRADE & PURITY ≥96%

Synonyms

Tris(o-methoxyphenyl)phosphine, 96% | GC10064 | SCHEMBL7154400 | SY009843 | tri-o-anisylphosphine | Pyrantel impurity D | AS-10420 | AKOS015917477 | Naphtol AS-LC | TRI(2-METHOXYPHENYL)PHOSPHINE;TRI(O-ANISYL)PHOSPHINE;TRIS(2-METHOXYPHENYL)PHOSPHANE;TRIS(2

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Catalyst for: · Allylic substitution of simple alkenes · Suzuki coupling reactions · Telomerization of 1,3-butadiene with various alcohols · Hydrogenation of quinolines · Amination / direct arylation

Specifications

Synonyms

Tris(o-methoxyphenyl)phosphine, 96% | GC10064 | SCHEMBL7154400 | SY009843 | tri-o-anisylphosphine | Pyrantel impurity D | AS-10420 | AKOS015917477 | Naphtol AS-LC | TRI(2-METHOXYPHENYL)PHOSPHINE;TRI(O-ANISYL)PHOSPHINE;TRIS(2-METHOXYPHENYL)PHOSPHANE;TRIS(2

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC
• IUPAC Name: tris(2-methoxyphenyl)phosphane
• InChIKey: IIOSDXGZLBPOHD-UHFFFAOYSA-N
• INCHI: 1S/C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3
• Isomeric SMILES: COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC
• WGK Germany: 3
• PubChem CID: 78464
• Molecular Weight: 352.36
• Reaxy-Rn: 2776186

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Phenylphosphine - Alkyl aryl ether - Phosphine - Ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Air sensitive.
• Melt Point(°C): 198-204°C
• Molecular Weight: 352.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 352.123 Da
• Monoisotopic Mass: 352.123 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 334.000
• 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

References

1. Yu Wang, Hongsen Wang, Jinni Deng, Yi Pan, Zhaohui Zheng, Xiaobin Ding.  (2023)  Isoindigo-Based Dual-Acceptor Conjugated Polymers Incorporated Conjugation Length and Intramolecular Charge Transfer for High-Efficient Photothermal Conversion.  MACROMOLECULAR RAPID COMMUNICATIONS,  44  (19): (2300244).  [PMID:37465937] [10.1002/marc.202300244]