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CAS Number: 13790-39-1
4-chloro-6,7-dimethoxyquinazoline

Structure

4-chloro-6,7-dimethoxyquinazoline
Name: 4-chloro-6,7-dimethoxyquinazoline
Synonyms:
General Information
Product Number: 13790391
CAS Registry Number: 13790-39-1
Name:
        Quinazoline, 4-​chloro-​6,​7-​dimethoxy-
        4-​Chloro-​6,​7-​dimethoxyquinazoline; 6,​7-​Dimethoxy-​4-​chloroquinazoline 

 

Chemical Formula: C10H9ClN2O2
Exact Mass: 224.04
Molecular Weight: 224.64
m/z: 224.04 (100.0%), 226.03 (32.0%), 225.04 (11.0%), 227.04 (3.6%), 226.04 (1.0%)
Elemental Analysis: C, 53.47; H, 4.04; Cl, 15.78; N, 12.47; O, 14.24
 
InChI: InChI=1S/C10H9ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h3-5H,1-2H3
InChIKey: LLLHRNQLGUOJHP-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OC
 
Thermal Properties Value Condition Note
Melting Point 259-263 °C   (5)CAS
Melting Point 184-186 °C   (1)CAS
Melting Point 183-185 °C   (6)CAS

Specification

98%

References
  1. (1) Van Brocklin, Henry F.; Journal of Medicinal Chemistry 2005, V48(23), P7445-7456 CAPLUS
  2. (2) Lueth, Anja; European Journal of Medicinal Chemistry 2008, V43(7), P1478-1488 CAPLUS
  3. (3) Perera, B. Gayani K.; Molecular BioSystems 2008, V4(6), P542-550 CAPLUS
  4. (4) Marzaro, Giovanni; Tetrahedron 2010, V66(4), P962-968 CAPLUS
  5. (5) Guo, Xiao-Hua; Journal of Chinese Pharmaceutical Sciences 2011, V20(2), P118-124 CAPLUS
  6. (6) Lutz, Wilson B.; US 3266990 1966 CAPLUS
  7. (7) Bridges, Alexander J.; Journal of Medicinal Chemistry 1996, V39(1), P267-76 CAPLUS
  8. (8) Hodous, Brian L.; Journal of Medicinal Chemistry 2007, V50(4), P611-626 CAPLUS
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