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2,4-Dichloropyrimidine-5-carboxylic acid
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Name

2,4-Dichloropyrimidine-5-carboxylic acid

 EINECS N/A
CAS No. 37131-89-8 Density 1.718 g/cm3
PSA 63.08000 LogP 1.48160
Solubility N/A Melting Point 96-97 °C
Formula C5H2Cl2N2O2 Boiling Point 368.384 °C at 760 mmHg
Molecular Weight 192.989 Flash Point 176.592 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 37131-89-8 (2,4-Dichloropyrimidine-5-carboxylic acid) Hazard Symbols Xn
Synonyms

2,4-Dichloro-5-pyrimidinecarboxylicacid;

Article Data 6

2,4-Dichloropyrimidine-5-carboxylic acid Synthetic route

23945-44-0

2,4-dihydroxypyrimidine-5-carboxylic acid

37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

Conditions
ConditionsYield
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;
2972-52-3

2,4-dichloropyrimidine-5-carbonyl chloride

37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

Conditions
ConditionsYield
With water In diethyl ether at 35℃; for 1h;93%
With water In tetrahydrofuran at 20℃; for 0.83h;
37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

75903-60-5

6-nitropyridine-2-sulfonamide

2,4-dichloro-N-((6-nitropyridin-2-yl)sulfonyl)pyrimidine-5-carboxamide

Conditions
ConditionsYield
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%
37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

2972-52-3

2,4-dichloropyrimidine-5-carbonyl chloride

Conditions
ConditionsYield
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;
37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

392-70-1

2,6-dimethyl-4-fluoroaniline

1099657-26-7

C13H10Cl2FN3O

Conditions
ConditionsYield
With Amberlyst A-21 resin In ethyl acetate at 50℃;90%
37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

62-53-3

aniline

1099657-22-3

2,4-dichloro-N-phenylpyrimidin-5-carboxamide

Conditions
ConditionsYield
With Amberlyst A-21 resin In ethyl acetate at 50℃;90%
37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

87-62-7

2,6-dimethylaniline

835633-82-4

2,4-dichloro-N-(2,6-dimethylphenyl)pyrimidin-5-carboxamide

Conditions
ConditionsYield
With Amberlyst A-21 resin In ethyl acetate at 50℃;90%
37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

88-05-1

2,4,6-trimethylaniline

1099657-28-9

C14H13Cl2N3O

Conditions
ConditionsYield
With Amberlyst A-21 resin In ethyl acetate at 50℃;90%
37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

608-31-1

2,6-Dichloroaniline

835633-83-5

2,4-dichloro-N-(2,6-dichlorophenyl)pyrimidine-5-carboxamide

Conditions
ConditionsYield
With Amberlyst A-21 resin In ethyl acetate at 50℃;90%
37131-89-8

2,4-dichloro-5-pyrimidinecarboxylic acid

75178-96-0

N-Boc-1,3-diaminopropane

1314997-89-1

4-(3-tert-Butoxycarbonylaminopropylamino)-2-chloropyrimidine-5-carboxylic acid

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran; ethyl acetate at 2 - 20℃; for 0.5h;88.6%

2,4-Dichloropyrimidine-5-carboxylic acid Specification

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

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