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About This Item
Linear Formula:
CH3(CH2)4C≡CCHO
CAS Number:
Molecular Weight:
124.18
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
97%
form
liquid
refractive index
n20/D 1.454 (lit.)
bp
74-76 °C/15 mmHg (lit.)
density
0.871 g/mL at 25 °C (lit.)
SMILES string
CCCCCC#CC=O
InChI
1S/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3
InChI key
DUUGWLGPIZCNLM-UHFFFAOYSA-N
Application
2-Octynal was used in the synthesis of (R)- and (S)-argentilactone via enantioselective catalytic allylation (ECA) and ring-closing metathesis pathways.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Acute 1 - Skin Sens. 1
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
154.4 °F - closed cup
Flash Point(C)
68 °C - closed cup
Certificates of Analysis (COA)
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Angelo de Fatima et al.
Bioorganic & medicinal chemistry, 12(20), 5437-5442 (2004-09-25)
Concise total syntheses of (R)- and (S)-argentilactone have been developed via enantioselective catalytic allylation (ECA) and ring-closing metathesis pathways (four steps, 39% overall yield and 82-84% ee) from 2-octynal and their in vitro activity against cancer cells is described.
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