4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
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- CAS-Nr.
- 3680-69-1
- Englisch Name:
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
- Synonyma:
- 4-CHLOROPYRROLO[2,3-D]PYRIMIDINE;6-CHLORO-7-DEAZAPURINE;4-chloropyrrolopyrimidine;4-Chloro-7H-pyrrolo[2,3-d]pyrimidin;-Chloro-7H-pyrrolo[2,3-d]pyrimidine;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
- CBNumber:
- CB8742621
- Summenformel:
- C6H4ClN3
- Molgewicht:
- 153.57
- MOL-Datei:
- 3680-69-1.mol
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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Eigenschaften
- Schmelzpunkt:
- 188-194 °C
- Siedepunkt:
- 289.2±50.0 °C(Predicted)
- Dichte
- 1.61±0.1 g/cm3(Predicted)
- Dampfdruck
- 0Pa at 25℃
- storage temp.
- Keep in dark place,Inert atmosphere,2-8°C
- L?slichkeit
- Soluble in DMSO, ethyl acetate and methanol.
- Aggregatzustand
- Crystalline Powder
- pka
- 11.42±0.20(Predicted)
- Farbe
- 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 Datenbank
- 3680-69-1(CAS DataBase Reference)
Sicherheit
- Risiko- und Sicherheitserkl?rung
- Gefahreninformationscode (GHS)
| Kennzeichnung gef?hrlicher |
Xi,T,Xn |
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| R-S?tze: |
36/37/38-25-20/21/22 |
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| S-S?tze: |
26-37-45-36 |
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| RIDADR |
UN 2811 6.1/PG 3 |
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| WGK Germany |
3 |
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| RTECS-Nr. |
UY9360000 |
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| TSCA |
No |
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| HazardClass |
IRRITANT |
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| PackingGroup |
Ⅲ |
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| HS Code |
29335990 |
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| Speicherklasse |
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects |
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| Hazard Classifications |
Acute Tox. 3 Oral |
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| Bildanzeige (GHS) |
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| Alarmwort |
Achtung
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| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H301 |
Giftig bei Verschlucken. |
Akute Toxizit?t oral |
Kategorie 3 |
Achtung |
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P264, P270, P301+P310, P321, P330,P405, P501 |
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| Sicherheit |
| P301+P310 |
BEI VERSCHLUCKEN: Sofort GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen. |
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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Chemische Eigenschaften,Einsatz,Produktion Methoden
R-S?tze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R25:Giftig beim Verschlucken.
R20/21/22:Gesundheitssch?dlich beim Einatmen,Verschlucken und Berührung mit der Haut.
S-S?tze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37:Geeignete Schutzhandschuhe tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn m?glich, dieses Etikett vorzeigen).
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
Lightbrown to brown crystalline powder
Verwenden
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is used in the manufacture of Tofacitinib citrate.
Application
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is an important heterocyclic compound and can be used for preparing JAK inhibitors Tofacitinib, Ruxolitinib, SHR0302 and other medicaments.
Chemische Reaktivit?t
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine undergos nucleophilic substitution reactions.
Synthese
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](/NewsImg/2023-10-18/6383323147119370063141800.jpg "4-Chloro-7H-pyrrolo[2,3-d]pyrimidine")
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.
Global( 975)Lieferanten
3680-69-1()Verwandte Suche:
- 4-chloro-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine
- 4-chloro-7H-pyrrolo[2,3-d]pyrimidine(SALTDATA: FREE)
- 4-Chloropyrrolo[2,3-d]pyriMidine
6-Chloro-7-deazapurine
- 7H-pyrrolo[2,3-d]pyriMidine, 6-Chloro-7-deazapurine
- 4-chloro-7H-pyrollo[2,3d]pyriMidine
- 4-Methyl-1,3-thiazole-2,5-diaMine
- Tofacitinib interMediate C
- 6-Chloro-7-deazapurine ,98%
- 4-chloro-7H-pyrrolo[2,3-d]pyrimidine/6-Chloro-7-deazapurine
- Nsc 64952
- Brn 0607871
- 7H-pyrrolo[2,3-d]pyrimidine, 4-chloro-
- Tofacitinib Impurity Q
- 4-Chloropyrro[2,3-d] pyriMidine
- 4-Chloro-(2,3-d)pyrimidine
- 4-chloro-7H-pyrrolo[3,2-e]pyrimidine
- Tofacitinib int-2 4-Chloropyrrolo[2,3-d]pyrimidine
- 4-Chloropyrrolo[2,3-d]pyrimidine
4-Chloro-1H-pyrrolo[2,3-d]pyrimidine
- 3-d)pyrimidine,4-chloro-7h-pyrrolo(
- 4-METHYL-2,5-DIAMINETHIAZOLE
- 6-Chloro-7-deazapurine, 4-Chloro-1H-pyrrolo[2,3-d]pyrimidine
- 6-CHLORO-7-DEAZAPURINE 98.5%
- 4-CHLORO-4H-PYRROLO[2,3-D]PYRIMIDINE
- 6-Chloro-7-deazapurin
- 4-Chloro-1H-pyrrolo[2,3-d]pyrimidine4-Chloropyrrolo[2,3-d]pyrimidine
- 4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE
- 4-CHLORO-1H-PYRROLO(2,3-D)PYRIMIDINE
- Tofacitib impurity Q
- oro-7-deazapurine
- 6-Chloro-7-deazapurine>
- Chloro-7-deazapurine
- Tofacitinib-6
- Tofacitinib citrate intermediate
- 6-CHLORO-7-DEAZAPURINE 4-CHLORO-7
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine(Cas number：3680-69-1)
- 4-Chloro-7H-pyrrolo[2,3-d]pyridine
- 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine USP/EP/BP
- -Chloropyrrolo(2,3-d)pyrimidine
- Azilsartan medoxomil impurity348
- 4-Chloro-1H-pyrrolo(2,3-d)pyrimidine(3680-69-1)
- 4-Chloro-7H-pyrrolo[2,3-d]py
- 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-chloropyrropyrimidine
- Tofatinib Impurity 6
- 4-Chloro-7H-pyrrolo4-Chloro-7H-pyrrolo[2,3-d]pyrimidine[2,3-d]pyrimidine
- Baricitinib intermediate 3
- 4-Chloropyrrolidone pyrimidine
- 4-Chloropyrrolo[1,2-a]pyrimidine
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine(4-CPP)
- 4-Chloropyrrolo[2,3-d]pyrimidine 97%
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (Tofacitinib Impurity)
- 4-chloropyrrolopyrimidine
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidin
- 4-CHLOROPYRROLO[2,3-D]PYRIMIDINE
- 6-CHLORO-7-DEAZAPURINE
- -Chloro-7H-pyrrolo[2,3-d]pyrimidine
- 3680-69-1
