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Merck

262595

Perhydroisoquinoline

96%

Synonym(s):

Decahydroisoquinoline

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About This Item

Empirical Formula (Hill Notation):
C9H17N
CAS Number:
Molecular Weight:
139.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
228-702-4
MDL number:
Assay:
96%
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Quality Level

assay

96%

composition

(mixture of cis and trans)

refractive index

n20/D 1.4904 (lit.)

bp

211-214 °C (lit.)

density

0.936 g/mL at 25 °C (lit.)

SMILES string

C1CCC2CNCCC2C1

InChI

1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2

InChI key

NENLYAQPNATJSU-UHFFFAOYSA-N

General description

Spectroscopic investigations of charge-transfer complexes of perhydroisoquinoline with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone, p-chloranil and 7,7′,8,8′-tetracyanoquinodimethane has been reported.

Application

Perhydroisoquinoline has been used in the synthesis of nelfinavir mesylate.


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

174.2 °F - closed cup

flash_point_c

79 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter



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Spectroscopic and thermal studies on charge-transfer complexes of perhydroisoquinoline with p-chloranil, 2, 3-dichloro-5, 6-dicyano-1, 4-benzoquinone, and 7, 7', 8, 8'-tetracyanoquinodimethane.
Refat MS and Abou-Melha S.
Journal of Applied Spectroscopy, 79(1), 11-21 (2012)
Savithra Jayaraj et al.
Scientific reports, 9(1), 11280-11280 (2019-08-04)
Visible-light mediated aerobic dehydrogenation of N-heterocyclic compounds is a reaction with enormous potential for application. Herein, we report the first complete aerobic dehydrogenation pathway to large-scale production of isoquinolines. The discovery of this visible light photoredox reaction was enabled through
Xuan Liu et al.
Talanta, 210, 120630-120630 (2020-01-29)
Noncontact ratiometric fluorescent thermometers have received great interests in recent years. Besides being a sensitive and easily observable detection signal, the ratiometric dual fluorescence are also highly accurate and resistable to interference. However, organic molecular thermometers with such fluorescence property