|
| | 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Basic information | | Uses |
| Product Name: | 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine | | Synonyms: | 4-CHLORO-1H-PYRROLO(2,3-D)PYRIMIDINE;4-CHLOROPYRROLO[2,3-D]PYRIMIDINE;4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE;6-CHLORO-7-DEAZAPURINE;6-CHLORO-7-DEAZAPURINE 4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE 4-CHLORO-1H-PYRROLO[2,3-D]PYRIMIDINE 4-CHLOROPYRROLO[2,3-D]PYRIMIDINE 6-CHLORO-7-DEAZAPURIN;4-Chloro-1H-pyrrolo[2,3-d]pyrimidine4-Chloropyrrolo[2,3-d]pyrimidine;6-Chloro-7-deazapurin
;4-CHLORO-4H-PYRROLO[2,3-D]PYRIMIDINE | | CAS: | 3680-69-1 | | MF: | C6H4ClN3 | | MW: | 153.57 | | EINECS: | 628-079-2 | | Product Categories: | Fused Ring Systems;Heterocyclic Building Blocks;Heterocycle-Pyrimidine series;Baricitinib;Ruxolitinib;Tofacitinib;Heterocycles;Heterocycles series;Halides;Pyrimidine;Heterocyclic Compounds;Bases & Related Reagents;Intermediates;Nucleotides;Biochemistry;Nucleobases and their analogs;Nucleosides, Nucleotides & Related Reagents;CHIRAL CHEMICALS;Naphthyridine,Quinoline;3680-69-1 | | Mol File: | 3680-69-1.mol | ![4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Structure](CAS/GIF/3680-69-1.gif) |
| | 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Chemical Properties |
| Melting point | 188-194 °C | | Boiling point | 289.2±50.0 °C(Predicted) | | density | 1.61±0.1 g/cm3(Predicted) | | vapor pressure | 0Pa at 25℃ | | storage temp. | Keep in dark place,Inert atmosphere,2-8°C | | solubility | Soluble in DMSO, ethyl acetate and methanol. | | pka | 11.42±0.20(Predicted) | | form | Crystalline Powder | | color | White to tan | | InChI | InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10) | | InChIKey | BPTCCCTWWAUJRK-UHFFFAOYSA-N | | SMILES | C1=NC(Cl)=C2C=CNC2=N1 | | LogP | 0.858 at 30℃ | | CAS DataBase Reference | 3680-69-1(CAS DataBase Reference) |
| Hazard Codes | Xi,T,Xn | | Risk Statements | 36/37/38-25-20/21/22 | | Safety Statements | 26-37-45-36 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | RTECS | UY9360000 | | TSCA | No | | HazardClass | IRRITANT | | PackingGroup | Ⅲ | | HS Code | 29335990 |
| | 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Usage And Synthesis |
| Uses | 4-Chloro-7H-pyrrolo[2,3-d] pyrimidine is an important pharmaceutical intermediate, which is widely used in the synthesis of many pharmaceutical intermediates at home and abroad. Including CP690550, CGP76030 and so on, 4-Chloro-7H-pyrrolo[2,3-d] pyrimidine was the scaffold for many commercially available drugs. Also, 4-Chloro-7H-pyrrolo[2,3-d] pyrimidine was the intermediate of the bulk drug, Tofatinib, which was widely used in treatment of adult patients with moderate to severe rheumatoid arthritis with inadequate or intolerant methotrexate response.
| | Chemical Properties | Lightbrown to brown crystalline powder | | Uses | 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is used in the manufacture of Tofacitinib citrate.
| | Uses | 6-Chloro-7-deazapurine is used for making tofacitinib. |
| | 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Preparation Products And Raw materials |
|
