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CAS No.: | 37131-89-8 |
---|---|
Name: | 2,4-Dichloropyrimidine-5-carboxylic acid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C5H2Cl2N2O2 |
Molecular Weight: | 192.989 |
Synonyms: | 2,4-Dichloro-5-pyrimidinecarboxylicacid; |
Density: | 1.718 g/cm3 |
Melting Point: | 96-97 °C |
Boiling Point: | 368.384 °C at 760 mmHg |
Flash Point: | 176.592 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 63.08000 |
LogP: | 1.48160 |
2,4-dihydroxypyrimidine-5-carboxylic acid
2,4-dichloro-5-pyrimidinecarboxylic acid
Conditions | Yield |
---|---|
With phosphorus pentachloride; trichlorophosphate Reflux; | 100% |
With N,N-diethylaniline; trichlorophosphate In N,N-dimethyl-formamide at 90℃; for 2.66667h; Under cold conditions; | 65% |
With N,N-diethylaniline; trichlorophosphate | |
With N,N-dimethyl-aniline; trichlorophosphate at 110℃; for 4h; Cooling with ice; |
2,4-dichloropyrimidine-5-carbonyl chloride
2,4-dichloro-5-pyrimidinecarboxylic acid
Conditions | Yield |
---|---|
With water In diethyl ether at 35℃; for 1h; | 93% |
With water In tetrahydrofuran at 20℃; for 0.83h; |
2,4-dichloro-5-pyrimidinecarboxylic acid
6-nitropyridine-2-sulfonamide
Conditions | Yield |
---|---|
Stage #1: 2,4-dichloropyrimidine-5-carboxylic acid With thionyl chloride for 2h; Reflux; Stage #2: 6-nitropyridine-2-sulfonamide With triethylamine In dichloromethane at 20℃; for 0.5h; | 100% |
Stage #1: 2,4-dichloropyrimidine-5-carboxylic acid With thionyl chloride for 1h; Reflux; Stage #2: 6-nitropyridine-2-sulfonamide With trimethylamine In dichloromethane at 20℃; for 0.5h; | 100% |
2,4-dichloro-5-pyrimidinecarboxylic acid
2,4-dichloropyrimidine-5-carbonyl chloride
Conditions | Yield |
---|---|
With thionyl chloride at 80℃; for 4h; | 90% |
With phosphorus pentachloride; trichlorophosphate at 115℃; for 6h; | 64% |
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1h; | |
With thionyl chloride Reflux; |
2,4-dichloro-5-pyrimidinecarboxylic acid
2,6-dimethyl-4-fluoroaniline
C13H10Cl2FN3O
Conditions | Yield |
---|---|
With Amberlyst A-21 resin In ethyl acetate at 50℃; | 90% |
2,4-dichloro-5-pyrimidinecarboxylic acid
aniline
2,4-dichloro-N-phenylpyrimidin-5-carboxamide
Conditions | Yield |
---|---|
With Amberlyst A-21 resin In ethyl acetate at 50℃; | 90% |
2,4-dichloro-5-pyrimidinecarboxylic acid
2,6-dimethylaniline
2,4-dichloro-N-(2,6-dimethylphenyl)pyrimidin-5-carboxamide
Conditions | Yield |
---|---|
With Amberlyst A-21 resin In ethyl acetate at 50℃; | 90% |
2,4-dichloro-5-pyrimidinecarboxylic acid
2,4,6-trimethylaniline
C14H13Cl2N3O
Conditions | Yield |
---|---|
With Amberlyst A-21 resin In ethyl acetate at 50℃; | 90% |
2,4-dichloro-5-pyrimidinecarboxylic acid
2,6-Dichloroaniline
2,4-dichloro-N-(2,6-dichlorophenyl)pyrimidine-5-carboxamide
Conditions | Yield |
---|---|
With Amberlyst A-21 resin In ethyl acetate at 50℃; | 90% |
2,4-dichloro-5-pyrimidinecarboxylic acid
N-Boc-1,3-diaminopropane
4-(3-tert-Butoxycarbonylaminopropylamino)-2-chloropyrimidine-5-carboxylic acid
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran; ethyl acetate at 2 - 20℃; for 0.5h; | 88.6% |
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The systematic name of 2,4-Dichloropyrimidine-5-carboxylic acid is 2,4-Dichloropyrimidine-5-carboxylic acid. With the CAS registry number 37131-89-8, it is also named as 2,4-Dichloro-5-pyrimidinecarboxylic acid. The product's category is pyrimidine series. In addition, its molecular formula is C5H2Cl2N2O2 and its molecular weight is 192.99.
The other characteristics of 2,4-Dichloropyrimidine-5-carboxylic acid can be summarized as: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 4; (8)H bond donors: 1; (9)Freely Rotating Bonds: 1; (10)Polar Surface Area: 63.08 Å2; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 39.155 cm3; (13)Molar Volume: 112.312 cm3; (14)Polarizability: 15.522×10-24cm3; (15)Surface Tension: 74.024 dyne/cm; (16)Density: 1.718 g/cm3; (17)Flash Point: 176.592 °C; (18)Melting point: 96-97 °C; (19)Enthalpy of Vaporization: 64.887 kJ/mol; (20)Boiling Point: 368.384 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1nc(Cl)ncc1C(O)=O
(2)InChI:InChI=1/C5H2Cl2N2O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)
(3)InChIKey:IVIHUCXXDVVSBH-UHFFFAOYAS
(4)Std. InChI:InChI=1S/C5H2Cl2N2O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)
(5)Std. InChIKey:IVIHUCXXDVVSBH-UHFFFAOYSA-N