Benzene, (5-chloro-1-pentynyl)-

Base Information

• Chemical Name: Benzene, (5-chloro-1-pentynyl)-
• CAS No.: 24463-87-4
• Molecular Formula: C11H11 Cl
• Molecular Weight: 178.661
• NSC Number: 140353
• DSSTox Substance ID: DTXSID40947344
• Nikkaji Number: J1.526.629E
• Wikidata: Q82925130
• Mol file: 24463-87-4.mol

Synonyms:24463-87-4;(5-chloropent-1-yn-1-yl)benzene;Benzene, (5-chloro-1-pentynyl)-;NSC140353;DTXSID40947344;(5-Chloro-pent-1-ynyl)-benzene;AKOS026731738;NSC-140353;FT-0740144

Chemical Property of Benzene, (5-chloro-1-pentynyl)-

Chemical Property:

• Vapor Pressure: 0.00949mmHg at 25°C
• Boiling Point: 273.6°Cat760mmHg
• Flash Point: 114.4°C
• Density: 1.06g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 178.0549280
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CCCCCl

Technology Process of Benzene, (5-chloro-1-pentynyl)-

There total 13 articles about Benzene, (5-chloro-1-pentynyl)- 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: 95.0%

iodobenzene (591-50-4) + 1-chloro-4-pentyne (14267-92-6) → (5-chloropent-1-ynyl)benzene (24463-87-4)

Guidance literature:

With C₁₆H₂₀Cl₂N₂O₂Pd; potassium hydroxide; In water; acetonitrile; at 60 ℃; for 4h;

DOI:10.1016/j.tetlet.2015.12.086

Reference yield: 92.0%

1.3-chlorobromopropane (109-70-6) + phenylacetylene (536-74-3) → (5-chloropent-1-ynyl)benzene (24463-87-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 80 ℃; for 15h; Inert atmosphere;

DOI:10.1021/ol203467v

Reference yield: 88.0%

1.3-chlorobromopropane (109-70-6) + lithium phenylacetylide (4440-01-1) → (5-chloropent-1-ynyl)benzene (24463-87-4)

Guidance literature:

In tetrahydrofuran; 1.) 0 deg C, 2 h, 2.) reflux, 3 h;

DOI:10.1021/ja9612413

upstream raw materials:

1.3-chlorobromopropane

phenylacetylene

(5-bromo-pent-1-ynyl)-benzene

lithium phenylacetylide

Downstream raw materials:

1,5-pentanedioic acid

benzoic acid

benzylidenecyclobutane

(5-iodopent-1-yn-1-yl)benzene