(E)-3-[2-(7-Chloro-2-quinolinyl)ethenyl]benzaldehyde supplier

Name
3-(2-(7-CHLOROQUINOLINE-2-YL)-(E)-VINYL)BENZALDEHYDE
EINECS 421-800-1
CAS No. 120578-03-2
Article Data17
CAS DataBase
Density 1.314 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₂ClNO
Boiling Point 476.502 °C at 760 mmHg
Molecular Weight 293.752
Flash Point 241.98 °C
Transport Information
Appearance Pale yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzaldehyde,3-[2-(7-chloro-2-quinolinyl)ethenyl]-, (E)-;(E)-3-[2-(7-Chloro-2-quinolinyl)ethenyl]benzaldehyde;
PSA 29.96000
LogP 4.87110

Synthetic route

: 4965-33-7
2-methyl-7-chloroquinoline

: 626-19-7
Isophthalaldehyde

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

Conditions

Conditions	Yield
With lanthanum pentafluorobenzoate In toluene at 120℃; for 24h;	97%
With tert-butylammonium hexafluorophosphate(V); calcium(II) trifluoromethanesulfonate In neat (no solvent) at 130℃; Green chemistry;	93%
With acetic anhydride In toluene at 100 - 105℃; for 12 - 15h;	75.15%

: 4965-33-7
2-methyl-7-chloroquinoline

: 626-19-7
Isophthalaldehyde

A: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

B: 120578-04-3
C28H18Cl2N2

Conditions

Conditions	Yield
With acetic acid at 100℃; Product distribution / selectivity;	A 65.45% B 7.75%
With acetic anhydride In xylene for 7h; Heating; Yield given;
With acetic anhydride In xylene for 7h; Heating; Yields of byproduct given;

...Expand

: 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

A: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

B: 139425-04-0
trans-3-[2-(7-chloroquinolin-2-yl)ethenyl]benzyl alcohol

C: 203940-18-5
3-[(E)-2-(7-chloro-2-quinolyl)vinyl]benzoic acid

D: 1026009-57-3
2-((S)-1-Bromo-3-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-3-hydroxy-propyl)-benzoic acid

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; methanol at 23℃; for 24h;

...Expand

: 181139-72-0
methyl-[(E)]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 99 percent / Et3N, 4-DMAP / CH2Cl2 / 0.25 h 2: 69 percent / NBS, (BzO)2 / CCl4 / 3 h / Heating 3: 1 N LiOH / tetrahydrofuran; methanol / 24 h / 23 °C View Scheme

: 184763-59-5
2-((S)-3-Acetoxy-3-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-propyl)-benzoic acid methyl ester

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 69 percent / NBS, (BzO)2 / CCl4 / 3 h / Heating 2: 1 N LiOH / tetrahydrofuran; methanol / 24 h / 23 °C View Scheme

: 4965-33-7
2-methyl-7-chloroquinoline

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

Conditions

Conditions	Yield
In Isophthalaldehyde

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 107-21-1
ethylene glycol

: 143816-71-1
2-<3-<2-(7-chloro-2-quinolinyl)-(E)-ethenyl>phenyl>-1,3-dioxolane

Conditions

Conditions	Yield
In toluene Heating;	98%

: 1826-67-1
vinyl magnesium bromide

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

A: 139425-04-0
trans-3-[2-(7-chloroquinolin-2-yl)ethenyl]benzyl alcohol

B: 149968-10-5
(E)-3-<2-(7-chloro-2-quinolinyl)ethenyl>-α-ethenylphenylmethanol

Conditions

Conditions	Yield
In tetrahydrofuran; toluene at 0 - 5℃; for 1h; Yields of byproduct given;	A n/a B 92%

...Expand

: 3536-96-7
vinylmagnesium chloride

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 149968-10-5
(E)-3-<2-(7-chloro-2-quinolinyl)ethenyl>-α-ethenylphenylmethanol

Conditions

Conditions	Yield
In tetrahydrofuran; ethylbenzene at -15℃;	91%
Stage #1: vinylmagnesium chloride; (E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde In tetrahydrofuran; toluene at 0 - 10℃; for 1.5h; Stage #2: With ammonium acetate; water In tetrahydrofuran; toluene for 1h;

: 676-58-4
methylmagnesium chloride

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 139425-24-4
3-(7-Chloroquinol-2-yl-trans-ethenyl)-alpha-methylbenzyl alcohol

Conditions

Conditions	Yield
Stage #1: methylmagnesium chloride; (E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde In tetrahydrofuran at -10 - 5℃; for 2.75h; Stage #2: With water at 10 - 15℃; for 0.5h;	89.43%
In tetrahydrofuran; toluene at -10℃; for 2h; Inert atmosphere;	78%
In tetrahydrofuran; toluene at -10℃; for 2h; Inert atmosphere;	78%
Stage #1: methylmagnesium chloride; (E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde In toluene at -5℃; for 2h; Stage #2: With water; ammonium chloride In toluene at 5℃; for 2h; Product distribution / selectivity;

: 2935-90-2
Methyl 3-mercaptopropionate

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 120385-96-8
dimethyl 5-<3-<2-(7-chloro-2-quinolinyl)-(E)-ethenyl>phenyl>-4,6-dithianonanedioate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -5 - 0℃; for 2h;	87%

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 67-64-1
acetone

: 1429879-31-1
(E)-4-{3-[(E)-2-(7-chloroquinolin-2-yl)vinyl]phenyl}but-3-en-2-one

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water for 3h;	76.47%
With sodium hydroxide In tetrahydrofuran; water for 3h;	76.47%

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 67-68-5
dimethyl sulfoxide

: 1429879-00-4
7-chloro-2-[(E)-2-(3-oxiranylphenyl)vinyl]quinoline

Conditions

Conditions	Yield
With trimethylsulphonium iodide; sodium hydride In tetrahydrofuran; dimethyl sulfoxide for 2h; Inert atmosphere;	66%
With trimethylsulphonium iodide; sodium hydride In tetrahydrofuran for 2h; Inert atmosphere;	66%

: 2935-90-2
Methyl 3-mercaptopropionate

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 92065-71-9
N,N-dimethyl-3-mercaptopropionamide

: 120443-15-4
(+)-methyl 5-(3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In chloroform at -8 - 2℃; for 2h;	49%

...Expand

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 105-36-2
ethyl bromoacetate

: 1095202-12-2
ethyl 3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropanoate

Conditions

Conditions	Yield
Stage #1: (E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde With zinc In diethyl ether; toluene at 60 - 70℃; for 0.5 - 0.75h; Stage #2: ethyl bromoacetate In diethyl ether; toluene at 60 - 70℃; for 3h;	46%

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

A: 139425-04-0
trans-3-[2-(7-chloroquinolin-2-yl)ethenyl]benzyl alcohol

B: 149968-10-5
(E)-3-<2-(7-chloro-2-quinolinyl)ethenyl>-α-ethenylphenylmethanol

Conditions

Conditions	Yield
With vinyl magnesium bromide In tetrahydrofuran at 0 - 5℃; for 1h;	A 40% B n/a

: 2935-90-2
Methyl 3-mercaptopropionate

: 115104-46-6
(R)-(-)-α-methoxyphenylthiolacetic acid

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

A: 130066-18-1
3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-((R)-2-methoxy-2-phenyl-acetylsulfanyl)-methylsulfanyl]-propionic acid methyl ester

B: 130066-19-2
3-[(S)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-((R)-2-methoxy-2-phenyl-acetylsulfanyl)-methylsulfanyl]-propionic acid methyl ester

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol; boron trifluoride diethyl etherate In 1,2-dichloro-ethane for 24h; Ambient temperature; Yield given. Yields of byproduct given;

...Expand

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 92065-71-9
N,N-dimethyl-3-mercaptopropionamide

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 120578-06-5
3-({3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-trimethylsilanyloxy-methylsulfanyl)-N,N-dimethyl-propionamide

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane at 12 - 14℃; for 24h;

...Expand

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 150026-73-6
-1-<2-<3-<3-<2-(7-chloro-2-quinolinyl)ethenyl>phenyl>-3-hydroxypropyl>phenyl>ethanone

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 92 percent / toluene; tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h 4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h View Scheme
Multi-step reaction with 4 steps 1: vinylmagnesium bromide / tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h 4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 149968-11-6
methyl 2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 92 percent / toluene; tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating View Scheme
Multi-step reaction with 2 steps 1: vinylmagnesium bromide / tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: Methanesulfonic acid (R)-3-(2-acetyl-phenyl)-1-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-propyl ester

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 92 percent / toluene; tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h 4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h 5: Et3N / toluene / 1 h / -5 °C View Scheme
Multi-step reaction with 5 steps 1: vinylmagnesium bromide / tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h 4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h 5: Et3N / toluene / 1 h / -5 °C View Scheme

Yield

Multi-step reaction with 5 steps
1: 92 percent / toluene; tetrahydrofuran / 1 h / 0 - 5 °C
2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating
3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h
4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h
5: Et3N / toluene / 1 h / -5 °C
View Scheme

Multi-step reaction with 5 steps
1: vinylmagnesium bromide / tetrahydrofuran / 1 h / 0 - 5 °C
2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating
3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h
4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h
5: Et3N / toluene / 1 h / -5 °C
View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: L 699392

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 92 percent / toluene; tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h 4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h 5: Et3N / toluene / 1 h / -5 °C 6: 1) BuLi / 1) THF, hexane, -75 to 10 deg C, 1 h, 2) toluene, 20 deg C, 2 h View Scheme
Multi-step reaction with 6 steps 1: vinylmagnesium bromide / tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h 4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h 5: Et3N / toluene / 1 h / -5 °C 6: 1) BuLi / 1) THF, hexane, -75 to 10 deg C, 1 h, 2) toluene, 20 deg C, 2 h View Scheme

Yield

Multi-step reaction with 6 steps
1: 92 percent / toluene; tetrahydrofuran / 1 h / 0 - 5 °C
2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating
3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h
4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h
5: Et3N / toluene / 1 h / -5 °C
6: 1) BuLi / 1) THF, hexane, -75 to 10 deg C, 1 h, 2) toluene, 20 deg C, 2 h
View Scheme

Multi-step reaction with 6 steps
1: vinylmagnesium bromide / tetrahydrofuran / 1 h / 0 - 5 °C
2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating
3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h
4: 1) lithium hexamethyldisilazide / 1) THF, 2) toluene, 0 deg C, 1 h
5: Et3N / toluene / 1 h / -5 °C
6: 1) BuLi / 1) THF, hexane, -75 to 10 deg C, 1 h, 2) toluene, 20 deg C, 2 h
View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

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

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 92 percent / toluene; tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h View Scheme
Multi-step reaction with 3 steps 1: vinylmagnesium bromide / tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (-)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 181139-72-0
methyl-[(E)]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 92 percent / toluene; tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (+)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h View Scheme
Multi-step reaction with 3 steps 1: vinylmagnesium bromide / tetrahydrofuran / 1 h / 0 - 5 °C 2: 83 percent / Et3N / Pd(OAc)2 / acetonitrile / 12 h / Heating 3: 87.1 percent / (+)-α-pinene, chloroborane-methyl sulfide, diisopropylethylamine / hexane; tetrahydrofuran / 1) -20 deg C, 3.5 h, 2) to 0 deg C, 1 h View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 115104-43-3, 143816-73-3
trans-3-<2-(7-chloro-2-quinolinyl)cyclopropyl>benzaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 98 percent / toluene / Heating 2: 1.) n-BuLi / 1.) THF, from -10 deg C to 21 deg C, 2 h, 2.) THF, 0 deg C, overnight 3: 97 percent / tetrahydrofuran; acetic acid; H2O / 2 h / Heating View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 115104-42-2, 143816-72-2
trans-2-<3-<2-(7-chloro-2-quinolinyl)cyclopropyl>phenyl>-1,3-dioxolane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 98 percent / toluene / Heating 2: 1.) n-BuLi / 1.) THF, from -10 deg C to 21 deg C, 2 h, 2.) THF, 0 deg C, overnight View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 115104-03-5, 143816-58-4
trans-5-<3-<2-(7-chloro-2-quinolinyl)cyclopropyl>phenyl>-4,6-dithianonanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 98 percent / toluene / Heating 2: 1.) n-BuLi / 1.) THF, from -10 deg C to 21 deg C, 2 h, 2.) THF, 0 deg C, overnight 3: 97 percent / tetrahydrofuran; acetic acid; H2O / 2 h / Heating 4: 71 percent / p-TsOH / toluene / 4.5 h / Heating View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 135028-15-8
(E)-5-(3-(2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 49 percent / BF3*Et2O / CHCl3 / 2 h / -8 - 2 °C 2: 88 percent / 1.00 N aq. LiOH / tetrahydrofuran / 4.5 h / -3 - 2 °C View Scheme
Multi-step reaction with 3 steps 1: imidazole / CH2Cl2 / 24 h / 12 - 14 °C 2: 61 percent / BF3*Et2O / CH2Cl2 / 16 h / -50 °C 3: 88 percent / 1.00 N aq. LiOH / tetrahydrofuran / 4.5 h / -3 - 2 °C View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 120443-15-4
(+)-methyl 5-(3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: imidazole / CH2Cl2 / 24 h / 12 - 14 °C 2: 61 percent / BF3*Et2O / CH2Cl2 / 16 h / -50 °C View Scheme

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 120578-05-4
3-[{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-N,N-dimethyl-propionamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: imidazole / CH2Cl2 / 24 h / 12 - 14 °C 2: BF3*Et2O / CH2Cl2 / 16 h / -50 °C View Scheme

: 863708-50-3
(2S,3S)-3-mercapto-2-methylbutanoic acid

: 120578-03-2
(E)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

: 863708-45-6
(2S,3S,2'S,3'S)-3,3'-[({3-[(E)-2-(7-chloroquinolin-2-yl)vinyl]phenyl}methylene)bis(thio)]bis(2-methylbutanoic acid)

Conditions

Conditions	Yield
With trifluoroacetic acid at 20℃; for 0.25h;

(E)-3-[2-(7-Chloro-2-quinolinyl)ethenyl]benzaldehyde Specification

The Benzaldehyde,3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]-, with the CAS registry number 120578-03-2, is also known as 3-(2-(7-Chloroquinoline-2-yl)-(E)-vinyl)benzaldehyde. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₈H₁₂ClNO and molecular weight is 293.75. What's more, both its IUPAC name and systematic name are the same which is called 3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]benzaldehyde.

Physical properties about Benzaldehyde,3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]- are: (1)ACD/LogP: 4.872; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.87; (4)ACD/LogD (pH 7.4): 4.87; (5)ACD/BCF (pH 5.5): 2969.88; (6)ACD/BCF (pH 7.4): 2971.02; (7)ACD/KOC (pH 5.5): 10649.60; (8)ACD/KOC (pH 7.4): 10653.70; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.751; (14)Molar Refractivity: 91.228 cm³; (15)Molar Volume: 223.597 cm³; (16)Polarizability: 36.166×10^-24cm³; (17)Surface Tension: 59.447 dyne/cm; (18)Density: 1.314 g/cm³; (19)Flash Point: 241.98 °C; (20)Enthalpy of Vaporization: 74.023 kJ/mol; (21)Boiling Point: 476.502 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cccc(c1)\C=C\c2nc3cc(Cl)ccc3cc2
(2) InChI: InChI=1S/C18H12ClNO/c19-16-7-5-15-6-9-17(20-18(15)11-16)8-4-13-2-1-3-14(10-13)12-21/h1-12H/b8-4+
(3) InChIKey: JTRDWIOIDMLMNN-XBXARRHUSA-N

Product Name

3-(2-(7-CHLOROQUINOLINE-2-YL)-(E)-VINYL)BENZALDEHYDE

Synthetic route

(E)-3-[2-(7-Chloro-2-quinolinyl)ethenyl]benzaldehyde Specification

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