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CAS Number: 123148-78-7
4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

Structure

4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
Name: 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 123148787
CAS Registry Number: 123148-78-7
Name:
        7H-​Pyrrolo[2,​3-​d]​pyrimidine, 4-​chloro-​5-​iodo-
        1H-​Pyrrolo[2,​3-​d]​pyrimidine, 4-​chloro-​5-​iodo- (9CI); 4-​Chloro-​5-​iodo-​7H-​pyrrolo[2,​3-​d]​pyrimidine; 4-​Chloro-​5-​iodopyrrolo[2,​3-​d]​pyrimidine 
 
Chemical Formula: C6H3ClIN3
Exact Mass: 278.91
Molecular Weight: 279.47
m/z: 278.91 (100.0%), 280.90 (32.0%), 279.91 (6.5%), 281.91 (2.1%), 279.90 (1.1%)
Elemental Analysis: C, 25.79; H, 1.08; Cl, 12.69; I, 45.41; N, 15.04
 
InChI: InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKey: CBWBJFJMNBPWAL-UHFFFAOYSA-N
Canonical SMILES : C1=C(C2=C(N1)N=CN=C2Cl)I
 
Thermal Properties Value Condition Note
Melting Point 290 °C   (3)CAS
Melting Point 197-199 °C   (4)CAS
Melting Point 196-199 °C (decomp)   (10)IC

Specification

98%

References
  1. (1) Ju, Jingyue; Proceedings of the National Academy of Sciences of the United States of America 2006, V103(52), P19635-19640 CAPLUS
  2. (2) Seela, Frank; Synthesis 2006, (12), P2005-2012 CAPLUS
  3. (3) Song, Yang; Synthesis 2011, (9), P1442-1446 CAPLUS
  4. (4) Kim, Young Ah; Journal of Medicinal Chemistry 2008, V51(13), P3934-3945 CAPLUS
  5. (5) Voronkov, Michael V.; Tetrahedron Letters 2006, V47(25), P4149-4151 CAPLUS
  6. (6) Roberts, Christopher D.; US 20050090463 A1 2005 CAPLUS
  7. (7) Keicher, Jesse D.; US 20050107312 A1 2005 CAPLUS
  8. (8) Roberts, Christopher D.; US 20050119200 A1 2005 CAPLUS
  9. (9) Keicher, Jesse D.; WO 2005042556 A1 2005 CAPLUS
  10. (10) Pudlo, Jeffrey S.; Journal of Medicinal Chemistry 1990, V33(7), P1984-92 CAPLUS
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