4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
Synonym(s):4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
- CAS NO.:123148-78-7
- Empirical Formula: C6H3ClIN3
- Molecular Weight: 279.47
- MDL number: MFCD09263258
- EINECS: 626-377-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-10-17 12:47:26
What is 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine?
The Uses of 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
6-Chloro-7-iodo-7-deazapurine is used as pharmaceutical intermediate.
Definition
4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine, also known as 6-Chloro-7-iodo-7-deazapurine or 4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidine, is a white solid that can be obtained by iodine reaction of 4-chloro-7h-pyrrole [2,3-d] pyrimidine with NIS.
Synthesis
4-chloro-7h-pyrrole [2,3-d] pyrimidine (8.0 g, 52.32 mmol, 1.0 eq) was dissolved in DMF(40 mL) and NIS(15.7g, 57.55 mmol, 1.1eq) was added at 0℃. After stirring at room temperature overnight, 200 mL of saturated Na2S2O3 solution was added. The mixture was filtered, washed with water three times, and vacuum drying, to obtain 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine.
Properties of 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
Melting point: | 179-183 °C |
Boiling point: | 241.0±50.0 °C(Predicted) |
Density | 2.47±0.1 g/cm3(Predicted) |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
form | powder to crystal |
pka | 9.61±0.20(Predicted) |
color | White to Orange to Green |
Water Solubility | Insoluble in water. |
Sensitive | Light Sensitive |
λmax | 305nm(H2O)(lit.) |
Safety information for 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
InChIKey | CBWBJFJMNBPWAL-UHFFFAOYSA-N |
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product: 123148-78-7 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine 98%
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