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3-Quinolinecarboxaldehyde,2-chloro-7-methoxy-

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Name

3-Quinolinecarboxaldehyde,2-chloro-7-methoxy-

EINECS N/A
CAS No. 68236-20-4 Density 1.348 g/cm3
PSA 39.19000 LogP 2.70930
Solubility N/A Melting Point 196-198 ºC
Formula C11H8ClNO2 Boiling Point 373.9 °C at 760 mmHg
Molecular Weight 221.643 Flash Point 179.9 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36-22
Molecular Structure Molecular Structure of 68236-20-4 (2-CHLORO-7-METHOXY-QUINOLINE-3-CARBALDEHYDE) Hazard Symbols Xn
Synonyms

2-Chloro-3-formyl-7-methoxyquinoline;2-Chloro-7-methoxy-3-quinolinecarboxaldehyde;7-Methoxy-2-chloro-3-formylquinoline;

Article Data 52

3-Quinolinecarboxaldehyde,2-chloro-7-methoxy- Synthetic route

68-12-2, 33513-42-7

N,N-dimethyl-formamide

588-16-9

m-methoxyacetanilide

68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

Conditions
ConditionsYield
With trichlorophosphate for 4h; Heating;89%
With trichlorophosphate at 80 - 90℃; for 4h; Vilsmeier-Haack cyclisation;89%
With trichlorophosphate at 80 - 90℃;89%
101382-55-2

7-methoxy-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde

68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

Conditions
ConditionsYield
With trichlorophosphate Heating;
536-90-3

m-Anisidine

68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2O
2: 89 percent / POCl3 / 80 - 90 °C
View Scheme
Multi-step reaction with 2 steps
1: H2O
2: 89 percent / POCl3 / 4 h / 80 - 90 °C
View Scheme
Multi-step reaction with 2 steps
1: triethylamine / dichloromethane / 3 h / 0 - 25 °C
2: trichlorophosphate / 16 h / 0 - 80 °C
View Scheme
51-66-1

4-methoxyacetanilide

68-12-2, 33513-42-7

N,N-dimethyl-formamide

68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

Conditions
ConditionsYield
With trichlorophosphate
90-04-0

2-methoxy-phenylamine

68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: triethylamine / dichloromethane / 4 h / 0 - 20 °C
2.1: trichlorophosphate / 0.08 h / 0 °C
2.2: Heating
View Scheme
50868-75-2

5’-methoxy-2’-methylacetanilide

68-12-2, 33513-42-7

N,N-dimethyl-formamide

68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

Conditions
ConditionsYield
Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 0 - 5℃;
Stage #2: 5’-methoxy-2’-methylacetanilide at 80℃; for 14h;
50868-72-9

5-methoxy-o-toluidine

68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: acetic acid / 2.5 h / 20 - 80 °C
2.1: trichlorophosphate / 0 - 5 °C
2.2: 14 h / 80 °C
View Scheme
68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

(E)-2-chloro-3-(hydrazonomethyl)-7-methoxyquinoline

Conditions
ConditionsYield
With hydrazine hydrate In ethanol100%
With hydrazine hydrate In ethanol at 20℃; for 18h;80%
68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

627-41-8

propargyl alcohol methyl ether

C15H13NO3

Conditions
ConditionsYield
With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl-formamide at 20℃; Sonogashira reaction;100%
With copper(l) iodide; bis(tri-phenylphosphine)palladium(II) dichloride; triethylamine In N,N-dimethyl-formamide at 20℃; Sonogashira Cross-Coupling; Inert atmosphere;58%
68236-20-4

2-chloro-7-methoxyquinoline-3-carbaldehyde

C19H17NOPPol

1287695-24-2

N-((E)-(2-chloro-6-methoxyquinolin-3-yl)methylidene)-4-methoxyaniline

Conditions
ConditionsYield
In tetrahydrofuran at 120℃; under 5171.62 Torr; aza-Wittig reaction; solid phase reaction;100%

3-Quinolinecarboxaldehyde,2-chloro-7-methoxy- Specification

The 3-Quinolinecarboxaldehyde,2-chloro-7-methoxy-, with the CAS registry number 68236-20-4, is also known as 2-Chloro-3-formyl-7-methoxyquinoline. This chemical's molecular formula is C11H8ClNO2 and formula weight is 221.64. What's more, its IUPAC name is 2-chloro-7-methoxyquinoline-3-carbaldehyde.

Physical properties of 3-Quinolinecarboxaldehyde,2-chloro-7-methoxy- are: (1)ACDLogP: 2.6; (2)#H bond donors: 0; (3)#H bond acceptors: 3; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 39.2 Å2; (6)Heavy Atom Count: 15; (7)Complexity: 237; (8)Covalently-Bonded Unit Count: 1; (9)Density: 1.348 g/cm3; (10)Flash Point: 179.9 °C; (11)Boiling Point: 379.9°C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=NC(=C(C=C2C=C1)C=O)Cl
(2)InChI: InChI=1S/C11H8ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-6H,1H3
(3)InChIKey: WRXZCLBKDXISQA-UHFFFAOYSA-N

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