268976
3-Methyl-1,3-pentadiene, mixture of cis and trans
98%
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About This Item
Linear Formula:
CH3CH=C(CH3)CH=CH2
CAS Number:
Molecular Weight:
82.14
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
98%
form
liquid
refractive index
n20/D 1.451 (lit.)
bp
75-77 °C (lit.)
density
0.73 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
C\C=C(/C)C=C
InChI
1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-5+
InChI key
BOGRNZQRTNVZCZ-AATRIKPKSA-N
Application
3-Methyl-1,3-pentadiene was used in the synthesis of two major nitronic ester cycloadducts by the tin(IV)-catalyzed reaction with β-nitrostyrene in toluene.
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Description
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Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
-20.2 °F - closed cup
Flash Point(C)
-29 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Peter A Wade et al.
Beilstein journal of organic chemistry, 9, 2137-2146 (2013-11-10)
The tin(IV)-catalyzed reaction of β-nitrostyrene with (E)-3-methyl-1,3-pentadiene in toluene afforded two major nitronic ester cycloadducts in 27% and 29% yield that arise from the reaction at the less substituted diene double bond. Also present were four cycloadducts from the reaction
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