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

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Products Intro: Product Name:4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS:3680-69-1
Purity:0.98 Package:50KG;5KG;1KG
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Products Intro: Product Name: 4-Chloro-7H-pyrrolo[2,3,-d]pyrimidine
CAS:3680-69-1
Purity:99%min Package:1kg 5kg 10kg 25kg
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CAS:3680-69-1
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Products Intro: Product Name:4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS:3680-69-1
Purity:0.99 Package:5KG;1KG
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CAS:3680-69-1
Package:500g/;1kg/;10kg/;25kg/;100kg/ Remarks:99.5%HPLC

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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Basic information
Uses
Product Name:4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
Synonyms: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%
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 series;Halides;Pyrimidine;Heterocycles;Bases & Related Reagents;Intermediates;Nucleotides;Heterocyclic Compounds;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
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.
form Crystalline Powder
pka11.42±0.20(Predicted)
color White to tan
InChIInChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKeyBPTCCCTWWAUJRK-UHFFFAOYSA-N
SMILESC1=NC(Cl)=C2C=CNC2=N1
LogP0.858 at 30℃
CAS DataBase Reference3680-69-1(CAS DataBase Reference)
Safety Information
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 
HS Code 29335990
MSDS Information
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 PropertiesLightbrown to brown crystalline powder
Uses4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is used in the manufacture of Tofacitinib citrate.
SynthesisThe 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
Tag:4-Chloro-7H-pyrrolo[2,3-d]pyrimidine(3680-69-1) Related Product Information
Indole Pyrimidine Polyvinylpyrrolidone Epichlorohydrin 1-CHLOROMETHYL-1H-1,2,4-TRIAZOLE N-Methyl-2-pyrrolidone Sodium thiosulfate pentahydrate 4-Chloropyrimidine 6-Chloropurine DEAZAPURINE N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine Methyl 4-chloropicolinate 4-Chloropyridinium chloride 2-Pyridinecarbonitrile,4-hydroxy-(9CI) Lithium hydroxide monohydrate N-Methyl-N-((3S,4S)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine 1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE DIHYDROCHLORIDE