4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
![4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Structure](CAS/GIF/3680-69-1.gif)
- CAS No.
- 3680-69-1
- Chemical Name:
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
- Synonyms
- 4-CHLOROPYRROLO[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;Nsc 64952;Brn 0607871;Tofacitinib-6;oro-7-deazapurine;Tofacitib impurity Q;Chloro-7-deazapurine;Tofatinib Impurity 6
- CBNumber:
- CB8742621
- Molecular Formula:
- C6H4ClN3
- Molecular Weight:
- 153.57
- MOL File:
- 3680-69-1.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/5/24 18:18:52
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. |
form | Crystalline Powder |
pka | 11.42±0.20(Predicted) |
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) |
SAFETY
Risk and Safety Statements
Symbol(GHS) | ![]() GHS06 |
|||||||||
---|---|---|---|---|---|---|---|---|---|---|
Signal word | Danger | |||||||||
Hazard statements | H301 | |||||||||
Precautionary statements | P301+P310 | |||||||||
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 | |||||||||
NFPA 704 |
|
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine price More Price(3)
Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
---|---|---|---|---|---|---|---|
Sigma-Aldrich(India) | 699489 | 6-Chloro-7-deazapurine 97% | 3680-69-1 | 1G | ₹14483.85 | 2022-06-14 | Buy |
TCI Chemicals (India) | C2306 | 6-Chloro-7-deazapurine min. 98.0 % | 3680-69-1 | 1G | ₹5700 | 2022-05-26 | Buy |
TCI Chemicals (India) | C2306 | 6-Chloro-7-deazapurine min. 98.0 % | 3680-69-1 | 5G | ₹16800 | 2022-05-26 | Buy |
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Chemical Properties,Uses,Production
Chemical Properties
Lightbrown to brown crystalline powder
Uses
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is used in the manufacture of Tofacitinib citrate.
Synthesis
The preparation process of pyrimidine includes the first α -alkylation reaction between diethyl malonate and allyl bromide, and the subsequent cyclization reaction with amidine to obtain a six-membered ring of bislactam. The chlorination of carbonyl with phosphorus oxychloride to obtain dichloro pyrimidine ring, followed by the oxidation of the terminal double bond with potassium osmate hydrate and sodium periodate to obtain the aldehyde group. The final reaction with ammonia water to produce SNAr/cyclization reaction, a five-step reaction, total yield of 45.8% to obtain 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine.
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Preparation Products And Raw materials
Raw materials
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chevron_rightSupplier | Tel | Country | ProdList | Advantage | Inquiry |
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ALTRAKEM PHARMA LIFE SCIENCES PRIVATE LIMITED | +919966658228 | Hyderabad, India | 486 | 58 | Inquiry |
EPOCH LABS | +91-7702174901 +91-9515109812 | Hyderabad, India | 68 | 58 | Inquiry |
A.R. LIFE SCIENCES PVT. LTD. | +91-914040267679 +91-8519993257 | Hyderabad, India | 100 | 58 | Inquiry |
GOALSY PHARMA | +91-8247562464 +91-9885583385 | Hyderabad, India | 479 | 58 | Inquiry |
REAX CHEMICALS | +91-9347443900 +91-9347443900 | Hyderabad, India | 169 | 58 | Inquiry |
Bulat Pharmaceutical Pvt Ltd | +91-8448085659 +91-8448085660 | Haryana, India | 123 | 58 | Inquiry |
Credas Labs Pvt Ltd | +91 9133918031 | Hyderabad, India | 119 | 58 | Inquiry |
PRODIGIOUS LIFE SCIENCES | +91-9177472555 +91-9177472555 | Hyderabad, India | 236 | 58 | Inquiry |
TYNDAL LABS PVT LTD | +91-8008166674 +91-8008166674 | AndhraPradesh, India | 95 | 58 | Inquiry |
VGS SYNTHESIS PRIVATE LIMITED | +91-9866975588 +91-9866975588 | Hyderabad, India | 1818 | 58 | Inquiry |
Supplier | Advantage |
---|---|
ALTRAKEM PHARMA LIFE SCIENCES PRIVATE LIMITED | 58 |
EPOCH LABS | 58 |
A.R. LIFE SCIENCES PVT. LTD. | 58 |
GOALSY PHARMA | 58 |
REAX CHEMICALS | 58 |
Bulat Pharmaceutical Pvt Ltd | 58 |
Credas Labs Pvt Ltd | 58 |
PRODIGIOUS LIFE SCIENCES | 58 |
TYNDAL LABS PVT LTD | 58 |
VGS SYNTHESIS PRIVATE LIMITED | 58 |
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