1-Pyrenecarboxaldehyde (3029-19-4)

The IUPAC name of 1-Pyrenecarboxaldehyde is pyrene-1-carbaldehyde. With the CAS registry number 3029-19-4, it is also named as 3-Formylpyrene. The product's categories are fluorescent labels and indicators, pyrenes, bases & related reagents, fluorescent labels & indicators and so on. It is air sensitive, which should be stored in closed, cool and dry place. In addition, it is yellow to orange to tan powder. Moreover, its molecular formula is C₁₇H₁₀O and molecular weight is 230.26.

The other characteristics of this product can be summarized as: (1)EINECS: 221-196-6; (2)ACD/LogP: 4.59; (3)# of Rule of 5 Violations: 0; (4)H bond acceptors: 1; (5)H bond donors: 0; (6)Freely Rotating Bonds: 1; (7)XLogP3: 4.5; (8)Rotatable Bond Count: 1; (9)Exact Mass: 230.073165; (10)MonoIsotopic Mass: 230.073165; (11)Heavy Atom Count: 18; (12)Complexity: 337; (13)Polar Surface Area: 17.07 Å²; (14)Index of Refraction: 1.875; (15)Molar Refractivity: 79.21 cm³; (16)Molar Volume: 173.6 cm³; (17)Polarizability: 31.4×10^-24cm³; (18)Surface Tension: 65.8 dyne/cm; (19)Density: 1.326 g/cm³; (20)Flash Point: 294.6 °C; (21)Melting point : 123-126 °C; (22)Enthalpy of Vaporization: 69.49 kJ/mol; (23)Boiling Point: 438.2 °C at 760 mmHg; (24)Vapour Pressure: 7.04E-08 mmHg at 25 °C.

Preparation of 1-Pyrenecarboxaldehyde: this chemical can be prepared by Dichloro-methoxy-methane and Pyrene.



This reaction needs TiCl₄ and CH₂Cl₂ at ambient temperature. The reaction time is 3 hours. The yield is 90 %.

Uses of 1-Pyrenecarboxaldehyde: it is a novel base-discriminating fluorescent (BDF) compound and used as a highly polarity-sensitive fluorophore for SNP typing. Besides, this chemical can reacts with Nitromethane to get (E)-1-(2-nitrovinyl)pyrene.



This reaction needs NH₄OAc and acetic acid to heating. The reaction time is 3.5 hours. The yield is 72 %.

When you are using this chemical, please be cautious about it as the following: 1-Pyrenecarboxaldehyde is irritating to eyes, respiratory system and skin. When you use it, please wear suitable protective clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=Cc4ccc2ccc1cccc3c1c2c4cc3
(2)InChI:InChI=1/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
(3)InChIKey:RCYFOPUXRMOLQM-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
(5)Std. InChIKey:RCYFOPUXRMOLQM-UHFFFAOYSA-N