- Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate
- Methyl (((methoxymethylphosphinothioyl)thio)acetyl)methylcarbamate
- Methyl (+)-(3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6E)-heptenoate
- Methyl (2-amino-5-methyl-1,3-thiazol-4-yl)acetate
- Methyl (2-chloromethyl)oxazole-4-carboxylate
- Methyl (2E)-3-(4-methylphenyl)propenoate
- Methyl (2E)-3-cyclohexylprop-2-enoate
- Methyl (2R)-2-[(tert-butoxycarbonyl)amino]-3-iodopropanoate
- Methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
- Methyl (2R)-2-amino-2-cyclohexylethanoate hydrochloride
- 133792-15-1[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-
- 133798-12-61-Propanaminium,N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxo-10-undecen-1-yl)amino]-, inner salt
- 1338-02-9Naphthenic acids,copper salts
- 133805-33-11H-Indole-3-acetamide,N-[3-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]propyl]-
- 13380-67-11H-Pyrrole-2,5-dione,1-(4-bromophenyl)-
- 13380-80-82-Cyclopenten-1-one,3-methyl-2-(phenylmethyl)-
- 13380-94-44,7-Methano-5H-inden-5-one,octahydro-
- 133814-19-4Isoquinolinium,2,2'-[[(4E)-1,8-dioxo-4-octene-1,8-diyl]bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-,(1R,1'R)-
- 1338-14-3Naphthenic acids, ironsalts
- 1338-23-42-Butanone, peroxide
Hot Products
- 13385-66-52-isopropyl-5,5-dimethylthiazolidine-4-carboxylic acid hydrochloride
- 13395-16-9Cupric acetylacetonate
- 13397-26-7CALCITE
- 1339-82-8Vine Black
- 13400-10-7adenosine 3'-phosphate 5'-diphosphate
- 1340-06-3Ichthylolsulfonic acid sodium salt
- 134017-12-2ISOSTEARYL STEAROYL STEARATE
- 13408-63-4hexacyanoferrate II
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
Methyl 2-(3-{3-[2-(7-chloroquinolin-2-yl)vinyl]phenyl}-3-oxopropyl)benzoate |
EINECS | N/A |
| CAS No. | 133791-17-0 | Density | 1.271 g/cm3 |
| PSA | 56.26000 | LogP | 6.66070 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C28H22ClNO3 | Boiling Point | 659.7 °C at 760 mmHg |
| Molecular Weight | 455.941 | Flash Point | 352.8 °C |
| Transport Information | N/A | Appearance | White or almost white crystalline powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methyl2-[3-[3-(2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl)benzoate; |
Article Data | 2 |
Methyl 2-(3-{3-[2-(7-chloroquinolin-2-yl)vinyl]phenyl}-3-oxopropyl)benzoate Synthetic route
- 106515-77-9
methyl 2-(3-oxopropane)benzoate
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| 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% |
- 610-97-9
o-iodo-methyl-benzoic acid
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| 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; |
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)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 | Yield |
|---|---|
| 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 |
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
- 150026-72-5
-2-<3-<3-<2-(7-chloro-2-quinolinyl)ethenyl>phenyl>-3-hydroxypropyl>benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| 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% |
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In ethanol at 0℃; for 24h; | 85% |
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| 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 |
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| 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 |
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
- 64-17-5
ethanol
| Conditions | Yield |
|---|---|
| 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 |
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
- 64-17-5
ethanol
A
- 142569-69-5
2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| 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 |
- 133791-17-0
2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester
- 64-17-5
ethanol
A
- 142569-69-5
2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester
| Conditions | Yield |
|---|---|
| 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 |
Methyl 2-(3-{3-[2-(7-chloroquinolin-2-yl)vinyl]phenyl}-3-oxopropyl)benzoate 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.
What can I do for you?
Get Best Price
