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262595

Sigma-Aldrich

Perhydroisoquinoline

96%

Synonym(s):

Decahydroisoquinoline

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About This Item

Empirical Formula (Hill Notation):
C9H17N
CAS Number:
6329-61-9
Molecular Weight:
139.24
EC Number:
228-702-4
MDL number:
MFCD00012096
UNSPSC Code:
12352100
PubChem Substance ID:
24855879
NACRES:
NA.22

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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

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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Certificates of Analysis (COA)

Lot/Batch Number
MKBH5420V
MKBD4875V
MKBF6358V
MKBD4875
MKBC7533

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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

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