5-Iodo-1-pentyne

Base Information

• Chemical Name: 5-Iodo-1-pentyne
• CAS No.: 2468-55-5
• Molecular Formula: C5H7I
• Molecular Weight: 194.015
• Hs Code.: 2903399090
• European Community (EC) Number: 686-034-2
• DSSTox Substance ID: DTXSID90452115
• Nikkaji Number: J472.472K
• Wikidata: Q82272511
• Mol file: 2468-55-5.mol

Synonyms:5-Iodo-1-pentyne;5-iodopent-1-yne;2468-55-5;1-iodo-4-pentyne;5-iodopent-1-yn;1-iodo-4 pentyne;5-iodo-pent-1-yne;SCHEMBL312585;DTXSID90452115;SEHFYZRHGUPLSY-UHFFFAOYSA-N;MFCD09907724;AKOS006310841;5-Iodo-1-pentyne, >=98.0% (GC);BS-53027;CS-0088561;C78094;EN300-212042

Chemical Property of 5-Iodo-1-pentyne

Chemical Property:

• Boiling Point: 84-89 °C(Press: 43 Torr)
• Flash Point: 8℃
• PSA: 0.00000
• Density: 1.706±0.06 g/cm3(Predicted)
• LogP: 1.83480
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 193.95925
• Heavy Atom Count: 6
• Complexity: 57.6

Purity/Quality:

99% ^*data from raw suppliers

5-Iodo-1-pentyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1736711
• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCI

Technology Process of 5-Iodo-1-pentyne

There total 5 articles about 5-Iodo-1-pentyne 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-chloro-4-pentyne (14267-92-6) → 5-iodopent-1-yne (2468-55-5)

Guidance literature:

With sodium iodide; In acetone; Reflux;

DOI:10.1021/acschemneuro.0c00589

Reference yield: 90.0%

4-pentynyl-1-tosylate (77758-50-0) → 5-iodopent-1-yne (2468-55-5)

Guidance literature:

With sodium iodide; In acetone; at 70 ℃; for 1h;

DOI:10.1016/j.bmc.2006.07.042

Reference yield: 89.0%

pent-1-yn-5-ol (5390-04-5) → 5-iodopent-1-yne (2468-55-5)

Guidance literature:

With triphenyl phosphite; methyl iodide; at 40 - 115 ℃; for 39h;

upstream raw materials:

1-chloro-4-pentyne

4-pentynyl-1-tosylate

pent-1-yn-5-ol

pent-4-yn-1-yl methanesulfonate

Downstream raw materials:

(1-Nitromethyl-hex-5-ynyl)-benzene

1,6-undecadiyne

4-methoxycarbonyl-non-3-en-8-ynoate de methyle

2,3-dihydro-1H-cyclopenta[b]quinoline

Refernces

• 1、 Gautier et al.. "". . p. 212,217. Retrieved 1963.
• 2、 Andreeva, Olga V.,Belenok, Mayya G.,Garifullin, Bulat F.,Kataev, Vladimir E.,Lyubina, Anna P.,Man’kova, Maria A.,Saifina, Liliya F.,Semenov, Vyacheslav E.,Shulaeva, Marina M.,Slita, Alexander V.,Volobueva, Alexandrina S.,Voloshina, Alexandra D.,Yesaulkova, Iana L.,Zarubaev, Vladimir V.. "Synthesis and antiviral evaluation of nucleoside analogues bearing one pyrimidine moiety and two d-ribofuranosyl residues". supporting information. . Retrieved 2021/07/06.
• 3、 Andreeva, Olga V.,Belenok, Maya G.,Saifina, Liliya F.,Shulaeva, Marina M.,Dobrynin, Alexey B.,Sharipova, Radmila R.,Voloshina, Alexandra D.,Saifina, Alina F.,Gubaidullin, Aidar T.,Khairutdinov, Bulat I.,Zuev, Yuriy F.,Semenov, Vyacheslav E.,Kataev, Vladimir E.. "Synthesis of novel 1,2,3-triazolyl nucleoside analogues bearing uracil, 6-methyluracil, 3,6-dimethyluracil, thymine, and quinazoline-2,4-dione moieties". supporting information. . Retrieved 2019/11/05.