1-Phenyl-3,4-dihydroisoquinoline - CAS 52250-50-7
Catalog: |
BB027756 |
Product Name: |
1-Phenyl-3,4-dihydroisoquinoline |
CAS: |
52250-50-7 |
Synonyms: |
1-Phenyl-3,4-dihydro-isoquinoline; Isoquinoline, 3,4-dihydro-1-phenyl- |
Related CAS: | 52250-51-8 (hydrochloride)
|
IUPAC Name: | 1-phenyl-3,4-dihydroisoquinoline |
Description: | An impurity of Solifenacin. Solifenacin is a muscarinic M3 receptor antagonist for treating contraction of overactive bladder with associated problems such as increased urination frequency and urge incontinence. |
Molecular Weight: | 207.27 |
Molecular Formula: | C15H13N |
Canonical SMILES: | C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2 |
InChI Key: | CTOQBSUYGFNMJX-UHFFFAOYSA-N |
Boiling Point: | 326.5±35.0 °C at 760 mmHg |
Melting Point: | 174 °C |
Purity: | 95 % |
Density: | 1.07±0.1 g/cm3 (Predicted) |
Appearance: | Yellow to Dark Yellow Oil |
LogP: | 2.51570 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112500345-A | Synthetic method of alpha-cyano quaternary carbon substituted tetrahydroisoquinoline compound | 20201218 |
CN-112142663-A | Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline | 20201022 |
CN-111925266-A | Preparation method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline | 20200701 |
WO-2021127303-A1 | Progranulin modulators and methods of using the same | 20191220 |
CN-211837857-U | Synthetic suction filter device of solifenacin intermediate component | 20191210 |
PMID | Publication Date | Title | Journal |
22415658 | 20120601 | Synthesis and biological evaluation of 1-phenyl-1,2,3,4-dihydroisoquinoline compounds as tubulin polymerization inhibitors | Archiv der Pharmazie |
15700775 | 20050101 | [Reactions of N-quaternary 1-phenyl-3,4-dihydroisoquinolinium compounds with nucleophiles--products and their isomerism--part 2] | Die Pharmazie |
12688246 | 20030301 | [Reactions of N-quaternary 1-phenyl-3,4-dihydroisoquinolinium compounds with nucleophiles - products and their isomerism - part 1] | Die Pharmazie |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.104799419 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Quinoline/Isoquinoline
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS