1-Phenyl-1,2,3,4-tetrahydro-isoquinoline - CAS 22990-19-8

Name: 1-Phenyl-1,2,3,4-tetrahydro-isoquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017847
Product Name:	1-Phenyl-1,2,3,4-tetrahydro-isoquinoline
CAS:	22990-19-8
Synonyms:	1,2,3,4-Tetrahydro-1-phenylisoquinoline; rac 1-Phenyl-1,2,3,4-tetrahydroisoquinoline

Technical Data

IUPAC Name:	1-phenyl-1,2,3,4-tetrahydroisoquinoline
Description:	An intermediate 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:	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±11.0 °C (Predicted)
Melting Point:	98.0-102.0 °C
Density:	1.065±0.06 g/cm3 (Predicted)
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	Off-White Solid
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