methyl 4-[({[2-(4-phenylphenyl)propan-2-yl]oxy}carbonyl)oxy]benzoate

• ChemBase ID: 131832
• Molecular Formular: C24H22O5
• Molecular Mass: 390.42848
• Monoisotopic Mass: 390.1467238
• SMILES: CC(C)(c1ccc(cc1)c1ccccc1)OC(=O)Oc1ccc(cc1)C(=O)OC
• Canonical SMILES: COC(=O)c1ccc(cc1)OC(=O)OC(c1ccc(cc1)c1ccccc1)(C)C
• InChI: InChI=1S/C24H22O5/c1-24(2,20-13-9-18(10-14-20)17-7-5-4-6-8-17)29-23(26)28-21-15-11-19(12-16-21)22(25)27-3/h4-16H,1-3H3
• InChIKey: PXYPBZYXNPAGFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-[({[2-(4-phenylphenyl)propan-2-yl]oxy}carbonyl)oxy]benzoate
• IUPAC Traditional name: methyl 4-[({[2-(4-phenylphenyl)propan-2-yl]oxy}carbonyl)oxy]benzoate
• Synonyms: 2-(4-Biphenylyl)-prop-2-yl 4′-methoxycarbonylphenyl carbonate; BPOC reagent; BPOC 试剂; 2-(4-联苯基)-丙-2-基 4′-甲氧羰基苯基碳酸酯

Database IDs

• CAS Number: 31140-37-1
• EC Number: 250-482-3
• MDL Number: MFCD00075450
• Beilstein Number: 2179522
• PubChem SID: 24848663; 162226109
• PubChem CID: 4053760

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.2721252
• LogD (pH = 7.4): 6.2721252
• Log P: 6.2721252
• Molar Refractivity: 109.6451 cm^3
• Polarizability: 44.087093 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 90-100 °C (dec.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥90% (HPLC)
• Grade: technical
• Empirical Formula (Hill Notation): C24H22O5

DETAILS

Sigma Aldrich - 359920

Application
引入酸敏感氨基保护基 BPOC 的试剂。

Sigma Aldrich - 14452

Other Notes
For the introduction of the acid labile BPOC-amino protecting group1; Selective acidolytic cleavage of the BPOC-protection2
Packaging
5 g in glass bottle