1-Bromobut-1-ene

Base Information

• Chemical Name: 1-Bromobut-1-ene
• CAS No.: 31844-98-1
• Molecular Formula: C4H7Br
• Molecular Weight: 135.004
• Hs Code.: 2903399090
• European Community (EC) Number: 250-836-7
• Mol file: 31844-98-1.mol

Synonyms:bromobutene;1-Bromobut-1-ene;butenyl bromide;Cis-1-Bromo-1-butene;bromo-butene;1-bromo-but-1-ene;1-bromo-3-methylpropene;FT-0607426;FT-0698228

Chemical Property of 1-Bromobut-1-ene

Chemical Property:

• Vapor Pressure: 53.4mmHg at 25°C
• Melting Point: -115.07°C (estimate)
• Refractive Index: 1.471
• Boiling Point: 94.7 °C at 760 mmHg
• Flash Point: 14.5 °C
• PSA: 0.00000
• Density: 1.331 g/cm³
• LogP: 2.30500
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 133.97311
• Heavy Atom Count: 5
• Complexity: 30.6

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CBr

Technology Process of 1-Bromobut-1-ene

There total 14 articles about 1-Bromobut-1-ene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

pent-2-enoic acid (626-98-2,13991-37-2,16666-42-5) → (E)/(Z)-1-bromo-1-butene (31844-98-1)

Guidance literature:

With [bis(acetoxy)iodo]benzene; tetraethylammonium bromide; In dichloromethane; at 20 ℃; for 10h;

DOI:10.1248/cpb.57.1243

Reference yield:

1-bromo-2-butanol (2482-57-7) → (E/Z)-crotyl bromide (4784-77-4,29576-14-5,39616-19-8) + (E)/(Z)-1-bromo-1-butene (31844-98-1)

Guidance literature:

Reference yield:

diethyl ether (60-29-7,927820-24-4) + methylmagnesium bromide (75-16-1) + 1,3-dibromopropene (627-15-6) → methane (34557-54-5,27936-85-2) + (E)/(Z)-1-bromo-1-butene (31844-98-1) + ethane (74-84-0) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2)

Guidance literature:

Produkt₅: Octadien-(2.6);

upstream raw materials:

butane, 1,1,2-tribromo-

acide dibromo-2,3 pentanoique

butyraldehyde

diethyl ether

Downstream raw materials:

but-1-yne

(Z)-13-hexadecene-11-yn-1-yl acetate

(E)-13-hexadecene-11-yn-1-yl acetate

3,5-Octadiene

Refernces

Synthesis of substituted 3-furan-2(5H)-ones via an anthracene Diels-Alder sequence

10.1016/j.tetlet.2006.04.097

The research focuses on the synthesis of substituted 3-furan-2(5H)-ones, which are structural motifs found in numerous bioactive natural products. The methodology involves a Diels–Alder sequence using anthracene and maleic anhydride to form a lactone, which upon deprotonation and electrophilic quenching, yields α-substituted lactones. Key reactants include anthracene, maleic anhydride, sodium borohydride, and various electrophiles such as methyl iodide, allyl iodide, butenyl bromide, benzyl bromide, tributyltin chloride, diethyl chlorophosphate, and chlorotrimethylsilane. The experiments utilize techniques like flash vacuum pyrolysis (FVP) to convert alkylated lactones into 3-substituted furan-2(5H)-ones. The study also explores the challenges and limitations of using cyclopentadiene in such reactions and proposes an alternative route to overcome these issues. Analytical techniques such as 13C NMR and IR spectroscopy were employed to confirm the structure and successful functionalization of the synthesized compounds.