262595
Perhydroisoquinoline
96%
Synonym(s):
Decahydroisoquinoline
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About This Item
Empirical Formula (Hill Notation):
C9H17N
CAS Number:
Molecular Weight:
139.24
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
174.2 °F - closed cup
Flash Point(C)
79 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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
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.
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