1-Pentynyl Iodide

Base Information

• Chemical Name: 1-Pentynyl Iodide
• CAS No.: 14752-61-5
• Molecular Formula: C5H7 I
• Molecular Weight: 194.015
• Hs Code.: 2903399090
• European Community (EC) Number: 691-510-8
• DSSTox Substance ID: DTXSID00505429
• Nikkaji Number: J208.920C
• Wikidata: Q82360542
• Mol file: 14752-61-5.mol

Synonyms:1-Pentynyl Iodide;14752-61-5;1-iodopent-1-yne;1-Pentyne, 1-iodo-;1-iodo-pent-1-yne;1-Iodo-1-pentyne;1-pentynyliodide;SCHEMBL4050553;1-Pentynyl Iodide, >/=97%;DTXSID00505429;MFCD00059098;AKOS015836200;BS-43884;CS-0334046;FT-0738406;P1055;T71796

Chemical Property of 1-Pentynyl Iodide

Chemical Property:

• Refractive Index: 1.552
• Boiling Point: 53 °C / 22mmHg
• PSA: 0.00000
• Density: 1,67 g/cm3
• LogP: 2.18240
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 193.95925
• Heavy Atom Count: 6
• Complexity: 72.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Pentynyl Iodide ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC#CI

Technology Process of 1-Pentynyl Iodide

There total 10 articles about 1-Pentynyl Iodide 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: 92.0%

1-Pentyne (627-19-0) → 1-iodopent-1-yne (14752-61-5)

Guidance literature:

With n-butyllithium; iodine; In diethyl ether; at -78 ℃;

DOI:10.1016/S0040-4039(01)00577-9

Reference yield: 43.0%

→ 1-iodopent-1-yne (14752-61-5)

Guidance literature:

In methanol; for 24h; Heating;

DOI:10.1021/jo00177a025

Reference yield:

diethyl ether (60-29-7,927820-24-4) + iododiacetylene (6088-91-1) → Butadiyne (460-12-8,27987-87-7) + 1-iodopent-1-yne (14752-61-5)

Guidance literature:

upstream raw materials:

1-Pentyne

methylmagnesium bromide

3-Methyl-pyridine; compound with 1-iodo-pent-1-yne

C₆H₁₈N₃OP*C₅H₇I

Downstream raw materials:

deca-4,6-diyne

C₁₈H₁₅AsO*C₅H₇I

Refernces

• 1、 Rajender Reddy,Venkateshwar,Uma Maheswari,Santhosh Kumar. "Mild and efficient oxy-iodination of alkynes and phenols with potassium iodide and tert-butyl hydroperoxide". supporting information; experimental part. p. 2170 - 2173. Retrieved 2010/06/14.
• 2、 Barbu, Eugen,Tsibouklis, John. "Unsymmetrically substituted aliphatic diacetylenes". . p. 5023 - 5026. Retrieved 2007/10/03.