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Key Documents

268976

Sigma-Aldrich

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

Quality Level

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.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard 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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