Basic information
- Name:
Benzoic acid,2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-, methyl ester
- Superlist Name:
- Methyl 2-(3-{3-[2-(7-chloroquinolin-2-yl)vinyl]phenyl}-3-oxopropyl)benzoate
- CAS No.:
133791-17-0
- Molecular Structure:
![Molecular Structure of 133791-17-0 (Benzoic acid,2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-, methyl ester)](http://www.lookchem.com/300w/2010/0618/133791-17-0.jpg)
- Formula:
- C28H22ClNO3
- Molecular Weight:
- 455.94
- Synonyms:
- Methyl2-[3-[3-(2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl)benzoate;
- Density:
- 1.271 g/cm3
- Boiling Point:
- 659.7 °C at 760 mmHg
- Flash Point:
- 352.8 °C
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Specification
The Benzoic acid,2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-, methyl ester is an organic with the formula C28H22ClNO3. The systematic name of this product is methyl 2-(3-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoate. With the CAS registry number 133791-17-0, it is also named as methyl 2-(3-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoate; 2-(3-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-3-oxo-propyl)-benzoic acid methyl ester. It is white or almost white crystalline powder which is used as intermediates of Montelukast. In addition, this product must be stored in a seald container which should be placed in a cool and dry warehouse.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.32; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Index of Refraction: 1.679; (7)Molar Refractivity: 135.397 cm3; (8)Molar Volume: 358.563 cm3; (9)Polarizability: 53.676×10-24 cm3; (10)Surface Tension: 55.295 dyne/cm; (11)Enthalpy of Vaporization: 97.091 kJ/mol; (12)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure. SMILES: O=C(OC)c1ccccc1CCC(=O)c2cccc(c2)\C=C\c3nc4cc(Cl)ccc4cc3; InChI: InChI=1/C28H22ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18H,12,16H2,1H3/b14-9+.
The Benzoic acid,2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-, methyl ester has many suppliers, such as Beijing Lunarsun Pharmaceutical Co., Ltd.; Jiangsu Wisdom Pharmaceutical Co., Ltd.; Nanjing Lanya Chemical Co., Ltd.; Nanjing Wisdompharm Chemical Co., Ltd. and Nantong Chem-land Co., Ltd.. The price of this product changes with the market.
