CAS
60299-77-6 Purity
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60299-77-6 Purity
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7-(b-Hydroxypropyl)theophylline
CAS
603-00-9
Catalog Number
ACM603009
Category
Other Products
Molecular Weight
238.24
Molecular Formula
C10H14N4O3
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Specification
Synonyms
1,3-Dimethyl-7-(2-hydroxypropyl)xanthine;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-;1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-;2-Hydroxypropyl-7-theophylline;3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-1h-
IUPAC Name
7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Canonical SMILES
CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
InChI Key
KYHQZNGJUGFTGR-UHFFFAOYSA-N
Boiling Point
487.2ºC
Melting Point
134-136ºC
Flash Point
248.5ºC
Density
1.46 g/cm³
Appearance
White Solid
EC Number
210-028-7
Exact Mass
238.10700
Hazard Statements
Xn
H-Bond Acceptor
5
H-Bond Donor
1
Upstream Synthesis Route 1
- 58-55-9
- 75-56-9
- 603-00-9
Reference: [1] Journal of Organic Chemistry, 2016, vol. 81, # 2, p. 380 - 395
[2] Archiv der Pharmazie (Weinheim, Germany), 1959, vol. 292, p. 234,236,237
Upstream Synthesis Route 2
- 10226-64-9
- 603-00-9
Reference: [1] Bulletin de la Societe Chimique de France, 1956, p. 1773,1775
[2] Journal of Medicinal Chemistry, 1999, vol. 42, # 14, p. 2527 - 2534
Upstream Synthesis Route 3
- 58-55-9
- 603-00-9
Reference: [1] Synthesis (Germany), 2014, vol. 46, # 10, p. 1380 - 1388
Upstream Synthesis Route 4
- 19686-73-8
- 58-55-9
- 603-00-9
Reference: [1]Patent: US2715125,1953,
Upstream Synthesis Route 5
- 58-55-9
- 127-00-4
- 603-00-9
Reference: [1]Patent: US2715125,1953,
Upstream Synthesis Route 6
- 58-55-9
- 75-56-9
- 603-00-9
Reference: [1]Journal of Organic Chemistry,2016,vol. 81,p. 380 - 395
[2]Archiv der Pharmazie,1959,vol. 292,p. 234,236,237
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