3-Pentynyl bromide

Base Information

• Chemical Name: 3-Pentynyl bromide
• CAS No.: 18719-27-2
• Molecular Formula: C5H7 Br
• Molecular Weight: 147.015
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID20499715
• Wikidata: Q82350743
• Mol file: 18719-27-2.mol

Synonyms:1-Bromo-3-pentyne;3-Pentyn-1-yl bromide; 5-Bromo-2-pentyne

Chemical Property of 3-Pentynyl bromide

Chemical Property:

• PSA: 0.00000
• LogP: 1.79470
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 145.97311
• Heavy Atom Count: 6
• Complexity: 72.4

Purity/Quality:

97% ^*data from raw suppliers

5-bromopent-2-yne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CCCBr

Technology Process of 3-Pentynyl bromide

There total 3 articles about 3-Pentynyl bromide 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: 100.0%

1,3-Diisopropyl-2-pent-3-ynyl-isourea (113984-39-7) → 1,3-diisopropylurea (4128-37-4) + 5-bromo-pent-2-yne (18719-27-2)

Guidance literature:

With 1H-imidazole; bromine; triphenylphosphine; In diethyl ether; acetonitrile; at 0 - 20 ℃; for 4.5h; Inert atmosphere;

DOI:10.1002/anie.201411618

Reference yield: 80.0%

pent-3-yn-1-yl 4-methylbenzenesulfonate (3329-88-2) → 5-bromo-pent-2-yne (18719-27-2)

Guidance literature:

With lithium bromide; In acetone; at 20 ℃; for 24h; Inert atmosphere;

Reference yield: 57.0%

1,3-Diisopropyl-2-pent-3-ynyl-isourea (113984-39-7) → 1,3-diisopropylurea (4128-37-4) + 5-bromo-pent-2-yne (18719-27-2)

Guidance literature:

With trifluorormethanesulfonic acid; tetrabutylammomium bromide; In chloroform; at 61 ℃; for 43h;

DOI:10.1016/S0040-4039(00)96534-1

upstream raw materials:

1,3-Diisopropyl-2-pent-3-ynyl-isourea

pent-3-yn-1-yl 4-methylbenzenesulfonate

Downstream raw materials:

1-Phenylthio-3-pentin

1-Phenyl-7-nonyne-1,3-dione

4-pent-3-ynyl-1-(toluene-4-sulfonyl)-1,2,3,6-tetrahydropyridine

5-(bromomethyl)-3-isoxazolecarboxylic acid ethyl ester