ChemicalBook--->CAS DataBase List--->1005206-17-6

1005206-17-6

1005206-17-6 Structure

1005206-17-6 Structure
IdentificationBack Directory
[Name]

7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
[CAS]

1005206-17-6
[Synonyms]

7H-Pyrrolo[2,3-d]pyrimidi...
7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
[Molecular Formula]

C7H5N3O2
[MDL Number]

MFCD17015971
[MOL File]

1005206-17-6.mol
[Molecular Weight]

163.134
Chemical PropertiesBack Directory
[storage temp. ]

Storage temp. -20°C
[Appearance]

White to light yellow Solid
[CAS DataBase Reference]

1005206-17-6
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933599590
Spectrum DetailBack Directory
[Spectrum Detail]

7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid(1005206-17-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate

1095822-17-5

7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid

1005206-17-6

Synthesis of compound 1. A solution of lithium hydroxide (LiOH, 0.236 g, 10.2 mmol) in water (4 mL) was slowly added dropwise to a solution of methyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate (1.4 g, 7.9 mmol) in tetrahydrofuran (THF, 20 mL) at 0 °C. The reaction mixture was stirred at 0 °C for 1 hour. Subsequently, the reaction solution was acidified with concentrated hydrochloric acid to pH 2. THF was evaporated off under reduced pressure and the remaining aqueous solution was cooled to 0 °C. The reaction was purified by filtration. The precipitated white solid was collected by filtration and dried under vacuum to afford 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid (Compound 1, 1.1 g, 85% yield). The product was characterized by 1H NMR (200 MHz, DMSO-d6): δ= 12.80 (broad peak, 1H), 8.95 (single peak, 1H), 7.87 (double peak, J = 2.8 Hz, 1H), 6.96 (double peak, J = 2.8 Hz, 1H). The mass spectrum (MS) showed m/z 164 [M + H]+.

[References]

[1] Patent: US2009/5359, 2009, A1. Location in patent: Page/Page column 16
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