(RS)-1-(2-Diphenylphosphino-1-naphthyl)isoquinoline

Product Information

Molecular Formula:
C31H22NP
Molecular Weight:
439.49
Description
(RS)-1-(2-Diphenylphosphino-1-naphthyl)isoquinoline (CAS# 149245-03-4 ) is a useful research chemical.
Synonyms
(1-isoquinolin-1-ylnaphthalen-2-yl)-diphenylphosphane
IUPAC Name
(1-isoquinolin-1-ylnaphthalen-2-yl)-diphenylphosphane
Canonical SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=NC=CC6=CC=CC=C65
InChI
InChI=1S/C31H22NP/c1-3-13-25(14-4-1)33(26-15-5-2-6-16-26)29-20-19-23-11-7-9-17-27(23)30(29)31-28-18-10-8-12-24(28)21-22-32-31/h1-22H
InChI Key
YMJAIEYASUCCMJ-UHFFFAOYSA-N
Boiling Point
588.065 °C at 760 mmHg
Flash Point
Not applicable
Purity
95 %
LogP
6.81320

Safety Information

Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
7.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
439.148986704 g/mol
Monoisotopic Mass
439.148986704 g/mol
Topological Polar Surface Area
12.9Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
590
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2020117894-A1 Isocarbostyril alkaloids and functionalization thereof 2018-12-05
EP-3699173-A1 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same 2018-10-18
US-2020399200-A1 Method for converting n,n-dialkylamide compound into ester compound using complex of fourth-period transition metal as catalyst 2018-02-28
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols 2017-11-01
US-2019135754-A1 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols 2017-11-01
US-2020048201-A1 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols 2017-11-01
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols 2017-11-01
US-10336737-B2 Metal catalyzed dearomative 1,2-carboamination 2017-06-20
EP-3632441-A2 Method for producing optically active compound 2017-05-30
US-2020317659-A1 Method for producing optically active compound 2017-05-30

Literatures

PMID Publication Date Title Journal
12506375 2003-01-03 How to turn the catalytic asymmetric hydroboration reaction of vinylarenes into a recyclable process Chemistry (Weinheim an der Bergstrasse, Germany)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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