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743704

Sigma-Aldrich

1,2-Butadiene

≥97.0%

Synonym(s):

1-Methylallene

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About This Item

Linear Formula:
CH2=C=CHCH3
CAS Number:
590-19-2
Molecular Weight:
54.09
Beilstein:
1730808
EC Number:
209-674-2
MDL number:
MFCD00039911
UNSPSC Code:
12142100
PubChem Substance ID:
329765650
NACRES:
NA.22

Assay

≥97.0%

form

gas

bp

10.8 °C (lit.)

SMILES string

CC=C=C

InChI

1S/C4H6/c1-3-4-2/h4H,1H2,2H3

InChI key

QNRMTGGDHLBXQZ-UHFFFAOYSA-N

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Application

1,2-Butadiene can be used as a reagent:
  • To synthesize useful β-borylallylsilanes building blocks by reacting with various achiral silylboranes via Pd-catalyzed asymmetric silaboration reaction.
  • In the enantioselective diboration reaction in the presence of palladium catalyst and Lewis base ligand.
  • 3-methyl-4-methyleneisocoumarin via formation of ortho-thallated benzoic acid in the presence of thallium trifluoroacetate and palladium catalyst.

Packaging

500ml high pressure aluminum cylinder equipped with a stainless steel valve according to DIN 477-1.

Other Notes

For 743704-250g-EU packaging: 500 mL of aluminium cylinder equipped with brass valve.

Recommended products

For 743704-250g-EU: outlet fitting: DIN 477-1 no. 1, Z742160 or Z742161 are the recommended regulators.

Pictograms

FlameGas cylinder
GHS02,GHS04

Signal Word

Danger

Hazard Statements

H220,H280

Precautionary Statements

P210 - P377 - P381 - P410 + P403

Hazard Classifications

Flam. Gas 1A - Press. Gas Liquefied gas

Storage Class Code

2A - Gases

WGK

WGK 1

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

743704-250G-EU:
743704-250G-BULK:
743704-250G:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of isocoumarins via thallation-olefination of benzoic acids
Larock RC, et al.
Journal of the American Chemical Society, 106(18), 5274-5284 (1984)
Palladium-catalyzed enantioselective diboration of prochiral allenes
Pelz NF, et al.
Journal of the American Chemical Society, 126(50), 16328-16329 (2004)
Palladium-catalyzed asymmetric silaboration of allenes.
Ohmura T, et al.
Journal of the American Chemical Society, 128(42), 13682-13683 (2006)
Ralf I Kaiser et al.
The journal of physical chemistry. A, 118(32), 6181-6190 (2014-08-02)
The reactions of the 4-tolyl radical (C6H4CH3) and of the D7-4-tolyl radical (C6D4CD3) with 1,2-butadiene (C4H6) have been probed in crossed molecular beams under single collision conditions at a collision energy of about 54 kJ mol(-1) and studied theoretically using

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