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133791-17-0

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  • Methyl 2-(3-{3-[2-(7-chloroquinolin-2-yl)vinyl]phenyl}-3-oxopropyl)benzoate Manufacturer/High quality/Best price/In stock

    Cas No: 133791-17-0

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  • 2-{3-{3-[2-(7-Chloro-2-quinolinyl)-ethenyl]-phenyl}-3-oxopropyl}-benzoic acid methyl ester

    Cas No: 133791-17-0

  • USD $ 1.2-5.0 / Kiloliter

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133791-17-0 Usage

General Description

Methyl [E]-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate is a chemical compound with a complex structure. It contains a methyl group, a benzene ring, and a quinoline moiety, along with an ester functional group. Methyl [E]-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate is a synthetic organic compound and is commonly used in chemical and pharmaceutical research as a reference standard or in the development of new drugs. The intricate structure of this compound suggests that it may have specific and potentially useful biological activities, potentially making it of interest to the scientific community for further exploration and potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 133791-17-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,3,7,9 and 1 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 133791-17:
(8*1)+(7*3)+(6*3)+(5*7)+(4*9)+(3*1)+(2*1)+(1*7)=130
130 % 10 = 0
So 133791-17-0 is a valid CAS Registry Number.
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

133791-17-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2-(3-(3-((7-chloroquinolin-2-yl)(thiophen-2-yl)methyl)phenyl)-3-oxopropyl)benzoate

1.2 Other means of identification

Product number -
Other names Methyl [E]-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate

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:133791-17-0 SDS

133791-17-0Synthetic route

C17H11BrClN

C17H11BrClN

methyl 2-(3-oxopropane)benzoate
106515-77-9

methyl 2-(3-oxopropane)benzoate

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

Conditions
ConditionsYield
With pyrrolidine; tris-(dibenzylideneacetone)dipalladium(0); 2-(di-tert-butylphosphino)-1-(2-methoxyphenyl)-1H-pyrrole In N,N-dimethyl acetamide at 140℃; for 4h; Solvent; Reagent/catalyst; Molecular sieve; Inert atmosphere;75%
o-iodo-methyl-benzoic acid
610-97-9

o-iodo-methyl-benzoic acid

1‐[3‐(2‐(7-chloro‐2‐quinolinyl)vinyl)phenyl]‐2-propen-1-ol

1‐[3‐(2‐(7-chloro‐2‐quinolinyl)vinyl)phenyl]‐2-propen-1-ol

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

Conditions
ConditionsYield
Stage #1: o-iodo-methyl-benzoic acid; 1‐[3‐(2‐(7-chloro‐2‐quinolinyl)vinyl)phenyl]‐2-propen-1-ol With triethylamine In butan-1-ol at 96℃; for 8h;
Stage #2: With sodium formate In butan-1-ol at 75℃;
Stage #3: In water at 55℃; for 1h;
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester
142569-69-5

2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester

Conditions
ConditionsYield
With C32H39BrMnN2O2P; potassium tert-butylate; hydrogen In methanol at 20℃; under 22502.3 Torr; for 16h; Glovebox; Autoclave; enantioselective reaction;99%
Stage #1: 2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester With borane-THF; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole In tetrahydrofuran; toluene at 10℃; for 2.66667h;
Stage #2: With hydrogenchloride In water at 20℃;
68.8%
With [iridium(dihydride)(chloride)((3,5-(tBu)2-C6H3)2P)(C17H10)NHCHC5H3N(CH3)]; potassium tert-butylate; hydrogen In methanol at 50℃; under 22502.3 - 24002.4 Torr; for 15h; Reagent/catalyst; Solvent; Pressure;n/a
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

-2-<3-<3-<2-(7-chloro-2-quinolinyl)ethenyl>phenyl>-3-hydroxypropyl>benzoic acid methyl ester
150026-72-5

-2-<3-<3-<2-(7-chloro-2-quinolinyl)ethenyl>phenyl>-3-hydroxypropyl>benzoic acid methyl ester

Conditions
ConditionsYield
With sodium formate; [N-[(1R,2R)-2-(amino-κN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-κN]chloro[(1,2, 3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]-ruthenium; Aliquat 336 In dichloromethane; water at 40℃; for 60h; Product distribution / selectivity; Inert atmosphere;89%
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

C27H18ClNO2

C27H18ClNO2

Conditions
ConditionsYield
With potassium tert-butylate In ethanol at 0℃; for 24h;85%
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

C27H20ClNO2

C27H20ClNO2

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium tert-butylate; C52H67ClIrN2P; hydrogen / 20 - 30 °C / 15001.5 - 16501.7 Torr / Autoclave; Schlenk technique; Inert atmosphere
1.2: 0 - 50 °C
2.1: dmap; dicyclohexyl-carbodiimide / dichloromethane / 25 °C
View Scheme
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

C29H28ClNO3

C29H28ClNO3

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: potassium tert-butylate; C52H67ClIrN2P; hydrogen / 20 - 30 °C / 15001.5 - 16501.7 Torr / Autoclave; Schlenk technique; Inert atmosphere; Large scale
2: hydrogen / tetrahydrofuran / 25 - 35 °C / 4500.45 - 6000.6 Torr / Autoclave
3: potassium tert-butylate / 3 h / 50 °C
View Scheme
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

ethanol
64-17-5

ethanol

C27H22ClNO3

C27H22ClNO3

Conditions
ConditionsYield
Stage #1: 2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester; ethanol With C52H67ClIrN2P; potassium tert-butylate; hydrogen at 20 - 30℃; under 15001.5 - 16501.7 Torr; Autoclave; Schlenk technique; Inert atmosphere;
Stage #2: With water; sodium hydroxide In methanol at 0 - 50℃;
7.8 g
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

ethanol
64-17-5

ethanol

A

2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester
142569-69-5

2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester

B

C27H20ClNO2

C27H20ClNO2

C

C29H26ClNO3

C29H26ClNO3

Conditions
ConditionsYield
With C52H67ClIrN2P; hydrogen In dichloromethane at 30℃; under 11400.8 Torr; for 0.5h; enantioselective reaction;A n/a
B n/a
C n/a
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

ethanol
64-17-5

ethanol

A

2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester
142569-69-5

2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester

B

C29H26ClNO3

C29H26ClNO3

Conditions
ConditionsYield
With C52H67ClIrN2P; potassium tert-butylate; hydrogen at 20 - 30℃; under 15001.5 - 16501.7 Torr; Autoclave; Schlenk technique; Inert atmosphere; Large scale; Overall yield = 94 %; Overall yield = 29.6 kg; enantioselective reaction;A n/a
B n/a
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
133791-17-0

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

ethanol
64-17-5

ethanol

A

C28H26ClNO3

C28H26ClNO3

B

2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester
142569-69-5

2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester

C

C29H26ClNO3

C29H26ClNO3

D

C29H28ClNO3

C29H28ClNO3

Conditions
ConditionsYield
With C52H67ClIrN2P; hydrogen at 70℃; under 11400.8 Torr; for 0.5h; enantioselective reaction;A n/a
B n/a
C n/a
D n/a

133791-17-0Relevant articles and documents

Synthesis method of montelukast sodium intermediate

-

Paragraph 0012; 0040-0045, (2020/11/10)

The invention provides a synthesis method of a montelukast sodium intermediate. The synthesis method comprises the following steps: (1) carrying out Witting reaction on a compound (IV) and 3-bromobenzyl bromide to obtain a compound (II); and (2) carrying out a coupling reaction on the compound (II) and a compound (III) under the action of a palladium catalyst to obtain the compound (I). The synthesis method is short in step, mild in condition, easyand convenient to operate, beneficial to reducing the process cost and capable of realizing industrial production.

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