2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene) | CAS No. 109857-81-0

2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene)

Basic Information

CAS Number

109857-81-0

Molecular Formula

C14H15BrS2

Molecular Weight

327.31 g/mol

AD

Basic Physical Properties

Boiling Point

423.4°C at 760 mmHg

CC1=C(SC=C1)C(=CCCBr)C2=C(C=CS2)C

InChI

InChI=1S/C14H15BrS2/c1-10-5-8-16-13(10)12(4-3-7-15)14-11(2)6-9-17-14/h4-6,8-9H,3,7H2,1-2H3

InChIKey

KRXSGXVUQKRSCK-UHFFFAOYSA-N

LogP

5.643140000000003

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

255

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 1-bromo-4,4-bis(3-methyl-thiene-2-yl)but-3-ene
  • DTXSID00602003
  • 4-BROMO-1,1-BIS(3-METHYL-2-THIENYL)-1-BUTENE
  • 2-[4-bromo-1-(3-methylthiophen-2-yl)but-1-enyl]-3-methylthiophene
  • 109857-81-0
  • FT-0660638
  • 2,2'-(4-Bromobut-1-ene-1,1-diyl)bis(3-methylthiophene)
  • 2-[4-BROMO-1-(3-METHYLTHIOPHEN-2-YL)BUT-1-EN-1-YL]-3-METHYLTHIOPHENE
  • SCHEMBL7362633
  • AKOS015911525
  • THIOPHENE, 2,2'-(4-BROMO-1-BUTENYLIDENE)BIS[3-METHYL-] 2,2'-(4-BROMO-1-BUTENYLIDENE)BIS[3-METHYLTHIOPHENE] 2,2'-(4-BROMOBUT-1-ENE-1,1-DIYL)BIS(3-METHYLTHIOPHENE)
  • 4-Bromo-1,1-bis(3-methyl-2-thienyl)-1-butene
  • 1-bromo-4,4-bis(3-methylthien-2-yl)but-3-ene
  • 1-bromo-4,4-di(3-methylthien-2-yl)but-3-en
  • 2-[4-bromo-1-(3-methylthien-2-yl)but-1-enyl]-3-methylthiophene
  • 4,4-bis(3-methyl-thiophen-2-yl)-but-3-en-1-yl bromide
  • THI024

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene) (CAS: 109857-81-0)?

2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene) is a crystalline solid with a molecular weight of approximately 353.08 g/mol. It has limited water solubility and is more soluble in organic solvents like dichloromethane and toluene. This compound exhibits low reactivity under normal conditions but can undergo bromination reactions. It can form stable thioether linkages and is resistant to oxidation.

How is 2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene) (CAS: 109857-81-0) typically synthesized?

2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene) is synthesized through a Diels-Alder reaction between 4-bromobut-1-ene and 3-methylthiophene. The reaction proceeds efficiently in the presence of a Lewis acid catalyst like aluminum trichloride. The yield is typically high, and the product is isolated by column chromatography.

What industries use 2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene) (CAS: 109857-81-0)?

2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene) is used in the pharmaceutical and polymer industries for the synthesis of functionalized materials. It also finds application in the development of sensors and semiconductors due to its unique thioether functionality and bromine substituent, which can provide specific chemical reactivity and electronic properties.

What precautions should be taken when handling 2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene) (CAS: 109857-81-0)?

When handling 2,2'-(4-Bromo-1-butene-1,1-diyl)bis(3-methylthiophene), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using an appropriate absorbent material, and the area should be properly decontaminated. Always consult the material safety data sheet (MSDS) for detailed handling instructions and emergency procedures.

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