1-Phenyl-1,2,3,4-tetrahydroisoquinoline - CAS 22990-19-8
Catalog: |
BB017847 |
Product Name: |
1-Phenyl-1,2,3,4-tetrahydroisoquinoline |
CAS: |
22990-19-8 |
Synonyms: |
1-phenyl-1,2,3,4-tetrahydroisoquinoline; 1-phenyl-1,2,3,4-tetrahydroisoquinoline |
IUPAC Name: | 1-phenyl-1,2,3,4-tetrahydroisoquinoline |
Description: | 1-Phenyl-1,2,3,4-tetrahydroisoquinoline (CAS# 22990-19-8) is a Solifenacin (S676700) intermediate. 1-Phenyl-1,2,3,4-tetrahydroisoquinoline had been detected in parkinsonian human brain. 1-Phenyl-1,2,3,4-tetrahydroisoquinoline maybe a candidate for endogenous MPTP-like neurotoxin since it is a structural analogue of MPTP which produces parkinsonism in humans. |
Molecular Weight: | 209.29 |
Molecular Formula: | C15H15N |
Canonical SMILES: | C1CNC(C2=CC=CC=C21)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2 |
InChI Key: | PRTRSEDVLBBFJZ-UHFFFAOYSA-N |
Boiling Point: | 338.4 °C at 760 mmHg |
Density: | 1.065 g/cm3 |
MDL: | MFCD02179241 |
LogP: | 3.25050 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111925266-A | Preparation method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline | 20200701 |
CN-111943134-A | Room-temperature dehydrogenation reaction system of photocatalytic organic liquid hydrogen storage material and preparation method and application thereof | 20190517 |
CN-110041255-A | The method of asymmetric synthesis of Solifenacin intermediate | 20190428 |
CN-111621805-A | Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation | 20190227 |
CN-111574448-A | Preparation method of phenyltetrahydroisoquinoline | 20190218 |
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 |
21837123 | 20110701 | Ortho-rhom-bic polymorph of (6,7-dimeth-oxy-1,2,3,4-tetra-hydro-isoquinolin-1-yl)methanol | Acta crystallographica. Section E, Structure reports online |
16412536 | 20060201 | Synthesis and in vitro cytotoxicity of 1,2,3,4-tetrahydroisoquinoline derivatives | European journal of medicinal chemistry |
15869290 | 20050511 | In situ selection of lead compounds by click chemistry: target-guided optimization of acetylcholinesterase inhibitors | Journal of the American Chemical Society |
15556771 | 20041215 | Design, synthesis, and inhibition of platelet aggregation for some 1-o-chlorophenyl-1,2,3,4-tetrahydroisoquinoline derivatives | Bioorganic & medicinal chemistry |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.120449483 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Quinoline/Isoquinoline
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