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Cas Database |
| Name |
2,8-Dichloroquinoline-3-carboxaldehyde |
EINECS | 1308068-626-2 |
| CAS No. | 144918-96-7 | Density | 1.483 g/cm3 |
| PSA | 29.96000 | LogP | 3.35410 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H5Cl2NO | Boiling Point | 358.1 °C at 760 mmHg |
| Molecular Weight | 226.062 | Flash Point | 170.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
OTAVA-BB 7020617824;2,8-Dichloroquinoline-3-carbaldehyde; |
Article Data | 6 |
2,8-Dichloroquinoline-3-carboxaldehyde Synthetic route
- 533-17-5
N-(2-chlorophenyl)acetamide
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
| Conditions | Yield |
|---|---|
| In dichloromethane for 7h; Reflux; | 92% |
- 533-17-5
N-(2-chlorophenyl)acetamide
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
| Conditions | Yield |
|---|---|
| With Triton X-100; trichlorophosphate In acetonitrile for 1.41667h; Vilsmeier-Haack cyclisation; Heating; | 88% |
| With trichlorophosphate at 80 - 100℃; |
- 109-94-4
formic acid ethyl ester
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 2,8-dichloroquinoline With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78 - 0℃; for 3h; Stage #2: formic acid ethyl ester In tetrahydrofuran; hexane at -78℃; for 1h; |
- 4470-83-1
2,8-dichloroquinoline
- 109-94-4
formic acid ethyl ester
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 2,8-dichloroquinoline With lithium diisopropyl amide In tetrahydrofuran; cyclohexene at -78℃; for 2h; Stage #2: formic acid ethyl ester In tetrahydrofuran; cyclohexene at -78℃; for 4h; |
- 95-51-2
2-Chloroaniline
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogenchloride / water 2: trichlorophosphate / 80 - 100 °C View Scheme |
- 4394-85-8
4-morpholinecarboxaldehyde
- 4470-83-1
2,8-dichloroquinoline
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
| Conditions | Yield |
|---|---|
| With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In 2-methyltetrahydrofuran; hexane at -78 - -70℃; |
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
- 1362850-94-9
8-chloro-2-(pyrazin-2-yl)quinoline-3-carbaldehyde
| Conditions | Yield |
|---|---|
| tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 110℃; for 5h; Inert atmosphere; | 99% |
- 196929-78-9
(R)-2-methylpropane-2-sulfinamide
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
- 1240186-26-8
(R,E)-N-[(2, 8-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
| Conditions | Yield |
|---|---|
| Stage #1: 2,8-dichloroquinoline-3-carbaldehyde With titanium(IV) isopropylate In tetrahydrofuran at 20℃; for 0.25h; Stage #2: (R)-2-methylpropane-2-sulfinamide at 20℃; for 17h; | 97% |
| Stage #1: 2,8-dichloroquinoline-3-carbaldehyde With titanium(IV) isopropylate In tetrahydrofuran at 20℃; for 0.25h; Stage #2: (R)-2-methylpropane-2-sulfinamide In tetrahydrofuran at 20℃; for 17h; | 97% |
| Stage #1: 2,8-dichloroquinoline-3-carbaldehyde With titanium(IV) isopropylate In tetrahydrofuran at 20℃; for 0.25h; Stage #2: (R)-2-methylpropane-2-sulfinamide In tetrahydrofuran at 20℃; for 17h; | 97% |
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
- 98-80-6
phenylboronic acid
- 1362850-80-3
8-chloro-2-phenylquinoline-3-carbaldehyde
| Conditions | Yield |
|---|---|
| With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water at 110℃; for 4h; Suzuki Coupling; Inert atmosphere; | 97% |
- 144918-96-7
2,8-dichloroquinoline-3-carbaldehyde
- 343338-28-3
(S)-2-methylpropane-2-sulfinamide
- 1362850-84-7
2-methylpropane-2(S)-sulfinic acid N-(2,8-dichloroquinolin-3-yl)meth-(E)-ylideneamide
| Conditions | Yield |
|---|---|
| Stage #1: (S)-2-methylpropane-2-sulfinamide With potassium phosphate In water for 0.166667h; Stage #2: 2,8-dichloroquinoline-3-carbaldehyde In water; isopropyl alcohol for 48h; | 95% |
2,8-Dichloroquinoline-3-carboxaldehyde Specification
The 2,8-Dichloroquinoline-3-carboxaldehyde has the CAS registry number 144918-96-7. This chemical's molecular formula is C10H5Cl2NO and molecular weight is 226.06. What's more, its systematic name is 2,8-dichloroquinoline-3-carbaldehyde.
Physical properties of 2,8-Dichloroquinoline-3-carboxaldehyde are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 3.07; (5)ACD/BCF (pH 5.5): 127.31; (6)ACD/BCF (pH 7.4): 127.31; (7)ACD/KOC (pH 5.5): 1117.57; (8)ACD/KOC (pH 7.4): 1117.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.697 ; (14)Molar Refractivity: 58.72 cm3; (15)Molar Volume: 152.3 cm3; (16)Polarizability: 23.28×10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.483 g/cm3; (19)Flash Point: 170.4 °C; (20)Enthalpy of Vaporization: 60.35 kJ/mol; (21)Boiling Point: 358.1 °C at 760 mmHg; (22)Vapour Pressure: 2.61E-05 mmHg at 25°C.
Preparation of 2,8-Dichloroquinoline-3-carboxaldehyde: this chemical can be prepared by N,N-dimethyl-formamide and acetic acid-(2-chloro-anilide) by heating. This reaction will need reagents POCl3, Triton X-100 and solvent acetonitrile with the reaction time of 85 min. The yield is about 88%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc2cc(C=O)c(Cl)nc12
(2)InChI: InChI=1S/C10H5Cl2NO/c11-8-3-1-2-6-4-7(5-14)10(12)13-9(6)8/h1-5H
(3)InChIKey: LPMXEZKNTOGEMM-UHFFFAOYSA-N
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