181139-72-0

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• Basic information

  1. Product Name: METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE
  2. 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
  3. CAS NO:181139-72-0
  4. Molecular Formula: C₂₈H₂₄ClNO₃
  5. Molecular Weight: 457.95
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 181139-72-0.mol
  9. Article Data: 18

• Chemical Properties

  1. Melting Point: 84 °C(Solv: methanol (67-56-1))
  2. Boiling Point: 643.972 °C at 760 mmHg
  3. Flash Point: 343.262 °C
  4. Appearance: /
  5. Density: 1.278
  6. Vapor Pressure: 1.13E-16mmHg at 25°C
  7. Refractive Index: 1.668
  8. Storage Temp.: 2-8°C
  9. Solubility: N/A
  10. PKA: 14.06±0.20(Predicted)
  11. CAS DataBase Reference: METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE(CAS DataBase Reference)
  12. NIST Chemistry Reference: METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE(181139-72-0)
  13. 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

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 181139-72-0(Hazardous Substances Data)

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• Upstream product
• Downstream Products
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• High quality Methyl 2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-Quinolinyl)Ethenyl]Phenyl]-3-Hydroxypropyl]Benzoate supplier in China

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• 181139-72-0 METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE

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• 2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoic acid methyl ester

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• Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate

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• METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE CAS:181139-72-0

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• Benzoic acid,2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-,methyl ester

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181139-72-0 Usage

Description

METHYL 2-[(S)-3-(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL-3-HYDROXYPROPYL]BENZOATE is a complex organic compound belonging to the benzoic acid and derivatives class. It features a vinyl group linked to a 7-chloro-2-quinolyl and a phenyl group, with a chiral center denoted by (S) indicating the spatial arrangement. Characterized by a benzoate ester, it has potential biological activities due to the presence of the quinolyl group. Further research is required to determine its properties, toxicity, environmental impact, and uses.

Uses

As the provided materials do not specify the uses of METHYL 2-[(S)-3-(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL-3-HYDROXYPROPYL]BENZOATE, it is not possible to list its applications based on the given information. Further research and investigation are needed to explore its potential uses in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 181139-72-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,1,1,3 and 9 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 181139-72:
(8*1)+(7*8)+(6*1)+(5*1)+(4*3)+(3*9)+(2*7)+(1*2)=130
130 % 10 = 0
So 181139-72-0 is a valid CAS Registry Number.

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)

181139-72-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name	METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE

1.2 Other means of identification

Product number	-
Other names	-

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:181139-72-0 SDS

181139-72-0Upstream product

• 149968-11-6 methyl 2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate 
• 177748-00-4 7-chloro-2-ethenylquinoline 
• 762272-95-7 2-[3-(3-bromophenyl)-3-hydroxypropyl]benzoic acid methyl ester 
• 610-97-9 o-iodo-methyl-benzoic acid 
• 120578-03-2 (E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde 
• 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 

181139-72-0Downstream Products

• 184763-59-5 2-((S)-3-Acetoxy-3-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-propyl)-benzoic acid methyl ester 
• 287930-77-2 (S,E)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol 
• 184764-13-4 [S-(E)]-1-[2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]-phenyl]-3-hydroxypropyl]phenyl]ethanone 
• 120578-03-2 (E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde 
• 139425-04-0 trans-3-[2-(7-chloroquinolin-2-yl)ethenyl]benzyl alcohol 
• 203940-18-5 3-[(E)-2-(7-chloro-2-quinolyl)vinyl]benzoic acid 
• 1026009-57-3 2-((S)-1-Bromo-3-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-3-hydroxy-propyl)-benzoic acid 
• 184764-20-3 (S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-2-methoxymethoxy-1-methyl-ethyl)-phenyl]-propan-1-ol 
• 184763-69-7 2-((S)-3-Acetoxy-1-bromo-3-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-propyl)-benzoic acid methyl ester 
• 186353-01-5 Methanesulfonic acid (S)-1-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-2-methoxymethoxy-1-methyl-ethyl)-phenyl]-propyl ester 
• 184764-27-0 (1-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-2-methoxymethoxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid 
• 906107-36-6 Methyl [S-(E)]-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-methanesulfonyloxy-propyl] benzoate 
• 855473-48-2 (R,E)-methyl 2-(3-(acetylthio)-3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)propyl)benzoate 
• 880769-25-5 methyl 2-[(3S)-[3-[(2E)-(7-chloro quinolin-2-yl)ethenyl]phenyl]-3-chloropropyl]benzoate 

181139-72-0Relevant articles and documents

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

Liang, Jack,Lalonde, James,Borup, Birthe,Mitchell, Vesna,Mundorff, Emily,Trinh, Na,Kochrekar,Cherat, Ramachandran Nair,Ganesh Pai

, p. 193 - 198 (2010)

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

-

Paragraph 0007; 0013; 0014; 0015, (2017/08/30)

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

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Page/Page column 58, (2012/03/27)

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))

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