181139-72-0

Basic information

• Product Name: METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE
• Synonyms: METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE;[S-(E)]-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoic acid methyl ester;Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate;Benzoic acid,2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-,Methyl ester;2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-, benzoic acid methyl ester
• CAS NO: 181139-72-0
• Molecular Formula: C₂₈H₂₄ClNO₃
• Molecular Weight: 457.95
• Mol File: 181139-72-0.mol
• Article Data: 18

Chemical Properties

• Melting Point: 84 °C(Solv: methanol (67-56-1))
• Boiling Point: 643.972 °C at 760 mmHg
• Flash Point: 343.262 °C
• Appearance: /
• Density: 1.278
• Vapor Pressure: 1.13E-16mmHg at 25°C
• Refractive Index: 1.668
• Storage Temp.: 2-8°C
• PKA: 14.06±0.20(Predicted)
• CAS DataBase Reference: METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE(181139-72-0)
• EPA Substance Registry System: METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE(181139-72-0)

Safety Data

• Hazardous Substances Data: 181139-72-0(Hazardous Substances Data)

Usage

General Description

"Methyl 2-[(S)-3-{(E)-3-[2-(7-Chloro-2-Quinolyl)vinyl]phenyl}-3-hydroxypropyl]benzoate" is a complex organic compound that belongs to the chemical class of benzoic acid and derivatives. Its chemical structure is made up of a vinyle group linked to a 7-chloro-2-quinolyl and a phenyl group and involves a chiral center denoted by (S) which signifies the spatial arrangement of the compound. METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE is characterized by the presence of a benzoate ester (benzoic acid ester), a common feature in a variety of pharmaceuticals and natural products. The presence of the quinolyl group gives it potential biological activities, although detailed information on this specific compound is limited. This chemical's precise properties, including its toxicity, environmental impact, and uses, would need further research and investigation to fully determine.

InChI:InChI=1/C28H24ClNO3/c29-21-13-10-18(11-14-21)16-24-27(33-17-19-6-2-1-3-7-19)25(28(31)32)23-15-12-20-8-4-5-9-22(20)26(23)30-24/h1-3,6-7,10-15H,4-5,8-9,16-17H2,(H,31,32)

Upstream product

• 149968-11-6 methyl 2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate 
• 1015076-83-1 sodium 2-[3-(3-bromo-phenyl)-3-oxo-propenyl]-benzoate 
• 165896-48-0 2-[3-(3-bromo-phenyl)-3-oxo-propyl]-benzoic acid methyl ester 
• 177747-94-3 2-[3-(3-bromo-phenyl)-3-oxo-propyl]-benzoic acid 
• 119-67-5 o-carboxybenzaldehyde 
• 2142-63-4 1-(3-Bromophenyl)ethanone 
• 149968-10-5 (E)-3-<2-(7-chloro-2-quinolinyl)ethenyl>-α-ethenylphenylmethanol 
• 120578-03-2 (E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde 
• 610-97-9 o-iodo-methyl-benzoic acid 
• 762272-95-7 2-[3-(3-bromophenyl)-3-hydroxypropyl]benzoic acid methyl ester 
• 177748-00-4 7-chloro-2-ethenylquinoline 

Downstream Products

• 184763-59-5 2-((S)-3-Acetoxy-3-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-propyl)-benzoic acid methyl ester 
• 855473-48-2 (R,E)-methyl 2-(3-(acetylthio)-3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)propyl)benzoate 
• 851755-56-1 [R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(methoxycarbonyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid 
• 937275-23-5 [R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl) ethenyl]phenyl]-3-[2-(methylcarbonyl)phenyl] propyl]thio]methyl]cyclopropane acetic acid 
• 918972-54-0 [R-(E)]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-[1-(1-methyl)ethenyl]phenyl]propyl]thio]methyl]cyclopropaneacetic acid 
• 1334676-80-0 [R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[(prop-1-en-2-yl)phenyl]propyl]thio]methyl]cyclopropane acetic acid methyl ester 
• 1351973-25-5 [R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-methoxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid 
• 1013023-48-7 [R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl) ethenyl]phenyl]-3-[2-(methylcarbonyl)phenyl] propyl]thio]methyl]cyclopropane acetic acid dicyclohexyl amine salt 
• 1197374-11-0 (S)-1-(3-((E)-2-(7-chloroquinolin?2-yl)vinyl)phenyl)-3-(2-isopropenylphenyl)propyl methanesulphonate 
• 1197374-09-6 (S)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-isopropenylphenyl)propyl acetate 
• 1352029-52-7 1R-{(3-[(E)-2-(7-chloroquinolin-2-yl) vinyl] phenyl)}-3-[2-(prop-1-en-2-yl) phenyl] propan-1-ol 
• 1351973-21-1 [S,E]-1-[[[1-[3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-3-[2-(prop-1-en-2-yl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid 
• 1351973-22-2 [S,E]-1-[[[1-[3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-3-[2-(prop-1-en-2-yl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid dicyclohexylamine salt 
• 1197374-12-1 [1-[(R)-1-(3-[(E)-2-(7-chloroquinolin-2-yl)vinyl]-phenyl)-3-(2-isopropenylphenyl)propylsulfanylmethyl]cyclopropyl]acetic acid dicyclohexylamine salt 

Relevant articles and documents

Development of a biocatalytic process as an alternative to the (-)-DIP-Cl-mediated asymmetric reduction of a key intermediate of montelukast

A KetoREDuctase (KRED) engineered via directed evolution technologies catalyzed the asymmetric reduction of (F)-methyl 2-(3- (3-(2-(7-chloroquinolin- 2-yl)vinyl)phenyl)-3-oxopropyl)benzoate to the corresponding (S)-alcohol, a key intermediate in the synth

Method for synthesizing montrlukast sodium intermediate by means of series catalysis of graphene palladium cobalt

The invention relates to a technology for chemical synthesis of a medicine intermediate, in particular to a method for synthesizing a montrlukast sodium intermediate-[S-(E)]-2-[3-[3-[2-(7-chlorine-2-quinolyl)vinyl]phenyl]-3-hydroxy propyl]methyl benzoate by means of series catalysis of graphene palladium cobalt. The method adopts two steps of coupling and reducing and a one-pot series catalytic system; the obtained intermediate product does not need to be separated; the method is simple in operation, high in yield and good in chiral selectivity, thus being suitable for industrial production.

BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS

The present disclosure relates to biaryl diphosphine ligands of the formula (B), processes for the production of the ligands and the use of the ligands in metal catalysts for asymmetric synthesis. The disclosure also relates to intermediates used for the production of the biaryl diphosphine ligand. (Formula (B))