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| CAS No.: | 871254-61-4 |
|---|---|
| Name: | 5-Pyrimidinecarboxaldehyde, 2,4-dichloro- |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C5H2Cl2N2O |
| Molecular Weight: | 176.99 |
| Synonyms: | 5-Pyrimidinecarboxaldehyde, 2,4-dichloro-;2,4-DichloropyriMidine-5-...;2,4-Dichloro-5-pyriMidinecarboxaldehyde;2,4-Dichloropyrimidine-5-Carboxaldehyde |
| Density: | 1.588 g/cm3 |
| Boiling Point: | 294 °C at 760 mmHg |
| Flash Point: | 131.6 °C |
| PSA: | 42.85000 |
| LogP: | 1.59590 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 58-96-8
uridine
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dimethyl-formamide With boric acid; trichlorophosphate at 5℃; for 0.5h; Stage #2: uridine at 5℃; for 2h; Reagent/catalyst; Temperature; | 96.6% |
- 4394-85-8
4-morpholinecarboxaldehyde
- 36082-50-5
2,4-dichloro-5-bromopyrimidine
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dichloro-5-bromopyrimidine With TurboGrignard In tetrahydrofuran at -78 - -42℃; for 1.25h; Stage #2: 4-morpholinecarboxaldehyde In tetrahydrofuran at -78 - -42℃; for 3.91667h; | 87% |
| Stage #1: 2,4-dichloro-5-bromopyrimidine With TurboGrignard In tetrahydrofuran at 78℃; for 1h; Stage #2: 4-morpholinecarboxaldehyde In tetrahydrofuran at -78 - -35℃; for 1.5h; Stage #3: With hydrogenchloride; water In tetrahydrofuran at -35℃; | 71% |
- 1195-08-0
2,4-dihydroxypyrimidine-5-carbaldehyde
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
| Conditions | Yield |
|---|---|
| With triethylamine; trichlorophosphate at 30 - 35℃; for 3.5h; | 69% |
| With trichlorophosphate at 80℃; for 0.5h; | 8.1 g |
- 36082-50-5
2,4-dichloro-5-bromopyrimidine
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dichloro-5-bromopyrimidine With isopropylmagnesium chloride; lithium chloride In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78 - -35℃; for 4h; | 31% |
| Stage #1: 2,4-dichloro-5-bromopyrimidine With hydrogenchloride In tetrahydrofuran at -78 - 35℃; for 0.5h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78℃; for 2h; | 28% |
- 107-31-3
Methyl formate
- 13544-44-0
2,4-dichloro-5-iodopyrimidine
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dichloro-5-iodopyrimidine With n-butyllithium In diethyl ether; hexane at -78℃; for 0.333333h; Inert atmosphere; Stage #2: Methyl formate In diethyl ether; hexane at -78℃; for 0.166667h; Inert atmosphere; |
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 66-22-8
uracil
A
- 3934-20-1
2,6-Dichloropyrimidine
B
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dimethyl-formamide With trichlorophosphate at -5 - 5℃; for 0.5h; Stage #2: uracil at 5℃; for 2h; Temperature; |
- 4433-40-3
5-hydroxymethyl uracil
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: dipotassium peroxodisulfate; silver nitrate / water 2: trichlorophosphate; triethylamine / 3.5 h / 30 - 35 °C View Scheme |
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
- 75-16-1
methylmagnesium bromide
- 130825-17-1
1-(2,4-dichloropyrimidin-5-yl)ethanol
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dichloro-5-pyrimidinecarboxaldehyde; methylmagnesium bromide In tetrahydrofuran; diethyl ether at -78℃; for 2h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether; water | 97% |
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
- 20342-65-8
2-hydroxypropanedinitrile
| Conditions | Yield |
|---|---|
| With dmap; ammonium chloride In acetonitrile at 10℃; for 1.33333h; | 85% |
- 871254-61-4
2,4-dichloro-5-pyrimidinecarboxaldehyde
- 89479-61-8
N-cyclopentylglycine ethyl ester
| Conditions | Yield |
|---|---|
| With sodium carbonate In N,N-dimethyl-formamide at 20℃; | 84% |
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Specification
The 5-Pyrimidinecarboxaldehyde,2,4-dichloro- is an organic compound with the formula C5H2Cl2N2O. The systematic name of this chemical is 2,4-dichloropyrimidine-5-carbaldehyde. With the CAS registry number 871254-61-4, it is also named as 2,4-dichloro-5-formylpyrimidine.
Physical properties about 5-Pyrimidinecarboxaldehyde,2,4-dichloro- are: (1)ACD/LogP: 1.21; (2)ACD/LogD (pH 5.5): 1.21; (3)ACD/LogD (pH 7.4): 1.21; (4)ACD/BCF (pH 5.5): 4.91; (5)ACD/BCF (pH 7.4): 4.91; (6)ACD/KOC (pH 5.5): 108.69; (7)ACD/KOC (pH 7.4): 108.69; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.85 Å2; (11)Index of Refraction: 1.616; (12)Molar Refractivity: 38.97 cm3; (13)Molar Volume: 111.4 cm3; (14)Polarizability: 15.45×10-24cm3; (15)Surface Tension: 61.7 dyne/cm; (16)Density: 1.588 g/cm3; (17)Flash Point: 131.6 °C; (18)Enthalpy of Vaporization: 53.36 kJ/mol; (19)Boiling Point: 294 °C at 760 mmHg; (20)Vapour Pressure: 0.00167 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)ncc1C=O
(2)InChI: InChI=1/C5H2Cl2N2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H
(3)InChIKey: MTIXQNKVUJSOQH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H2Cl2N2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H
(5)Std. InChIKey: MTIXQNKVUJSOQH-UHFFFAOYSA-N