tris(2-methoxyphenyl)phosphane

• ChemBase ID: 82995
• Molecular Formular: C21H21O3P
• Molecular Mass: 352.363401
• Monoisotopic Mass: 352.12283116
• SMILES: P(c1ccccc1OC)(c1ccccc1OC)c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1P(c1ccccc1OC)c1ccccc1OC
• InChI: 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
• InChIKey: IIOSDXGZLBPOHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-methoxyphenyl)phosphane
• IUPAC Traditional name: tris(2-methoxyphenyl)phosphane
• Synonyms: NSC 93545; Tris(o-anisyl)phosphine; Tris(o-methoxyphenyl)phosphine; Tri(o-anisyl)phosphine; Tris(2-methoxyphenyl)phosphine; tri(2-methoxyphenyl)phosphine; 三(邻甲氧基苯基)膦; 三(2-甲氧基苯基)膦

Database IDs

• CAS Number: 4731-65-1
• EC Number: 225-235-8
• MDL Number: MFCD00014892
• Beilstein Number: 2776186
• PubChem SID: 162070114
• PubChem CID: 78464

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3485
• LogD (pH = 7.4): 4.3485
• Log P: 4.3485
• Molar Refractivity: 101.0125 cm^3
• Polarizability: 39.789864 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196-204°C; 198-204 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%; 97%; 98%
• Empirical Formula (Hill Notation): C21H21O3P

DETAILS

Sigma Aldrich - 710563

Packaging
1 g in glass bottle
Application
Catalyst for:
• Allylic substitution of simple alkenes1
• Suzuki coupling reactions2
• Telomerization of 1,3-butadiene with various alcohols3
• Hydrogenation of quinolines4
• Amination / direct arylation5