3,4-Dihydroisoquinoline - CAS 3230-65-7

Catalog:	BB021251
Product Name:	3,4-Dihydroisoquinoline
CAS:	3230-65-7
Synonyms:	3,4-dihydroisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	3,4-dihydroisoquinoline
Description:	3,4-Dihydroisoquinoline (CAS# 3230-65-7) is derived from 1,2,3,4-Tetrahydroisoquinoline (T293820), which is used as a reagent in the preparation of 4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamides as antiproliferative tubulin inhibitors.
Molecular Weight:	131.17
Molecular Formula:	C9H9N
Canonical SMILES:	C1CN=CC2=CC=CC=C21
InChI:	InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
InChI Key:	NKSZCPBUWGZONP-UHFFFAOYSA-N
Boiling Point:	241.8 ℃ at 760 mmHg
Density:	1.05 g/cm³
MDL:	MFCD00033714
LogP:	1.09720

Publication Number	Title	Priority Date
CN-112174939-B	Method for synthesizing 5-amino substituted 1H-1,2, 3-triazole from 2,2, 2-trifluoroethyl ketone	20201103
WO-2021204930-A1	Substituted condensed azines as anthelmintic compounds	20200409
WO-2021198332-A1	Condensation product for use in a method for the treatment of covid-19	20200401
WO-2021122975-A1	Substituted thiophene carboxamides and derivatives thereof as microbicides	20191220
WO-2021122976-A1	Substituted thiophene carboxamides and derivatives thereof	20191220

PMID	Publication Date	Title	Journal
21902275	20111104	Direct functionalization of (un)protected tetrahydroisoquinoline and isochroman under iron and copper catalysis: two metals, two mechanisms	The Journal of organic chemistry
21269449	20110126	In silico quantitative structure-activity relationship studies on P-gp modulators of tetrahydroisoquinoline-ethyl-phenylamine series	BMC structural biology
21188968	20110121	Catalytic asymmetric allylation of 3,4-dihydroisoquinolines and its application to the synthesis of isoquinoline alkaloids	The Journal of organic chemistry
21826182	20110101	Novel 5, 6-Dihydropyrrolo[2,1-a]isoquinolines as Scaffolds for Synthesis of Lamellarin Analogues	Evidence-based complementary and alternative medicine : eCAM
19777526	20091005	Graphite-supported gold nanoparticles as efficient catalyst for aerobic oxidation of benzylic amines to imines and N-substituted 1,2,3,4-tetrahydroisoquinolines to amides: synthetic applications and mechanistic study	Chemistry, an Asian journal

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Related Functional Groups

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7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[19490-87-0]
7-Methoxy-2-methylquinoline
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Ethyl 3-quinolinecarboxylate
[79660-46-1]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P262, P264, P270, P280, P301+P312, P302+P350, P302+P352, P305+P351+P338, P310, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.073499291
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.073499291
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3