4-Iodoquinoline

Base Information

• Chemical Name: 4-Iodoquinoline
• CAS No.: 16560-43-3
• Molecular Formula: C9H6IN
• Molecular Weight: 255.058
• Hs Code.: 29334900
• DSSTox Substance ID: DTXSID20507041
• Nikkaji Number: J1.874.827D
• Mol file: 16560-43-3.mol

Synonyms:4-Iodoquinoline;16560-43-3;Quinoline, 4-iodo-;MFCD07700252;SCHEMBL949255;DTXSID20507041;STERKHRCDZPNRE-UHFFFAOYSA-N;AMY10955;TD8161;AKOS015912219;SB71857;AC-25798;DS-13371;SY021652;CS-0041400;FT-0715024;A26253;J-650266

Chemical Property of 4-Iodoquinoline

Chemical Property:

• Vapor Pressure: 0.000585mmHg at 25°C
• Melting Point: 98-100
• Refractive Index: 1.724
• Boiling Point: 320.7 °C at 760 mmHg
• PKA: 3.58±0.13(Predicted)
• Flash Point: 147.8 °C
• PSA: 12.89000
• Density: 1.837 g/cm³
• LogP: 2.83940
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 254.95450
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

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

4-Iodoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)I
• Uses: 4-Iodoquinoline is a reagent used in the synthesis of aryl hydantoin Ro 13-3978 a antischistosomal compound that produces antiandrogenic side effects.

Technology Process of 4-Iodoquinoline

There total 6 articles about 4-Iodoquinoline 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: 91.0%

4-trimethylstannyl-quinoline (79476-06-5) → 4-iodoquinoline (16560-43-3)

Guidance literature:

With iodine; In chloroform; for 0.25h; Ambient temperature;

Reference yield: 57.0%

4-bromoquinoline (3964-04-3,850917-90-7) → 4-iodoquinoline (16560-43-3)

Guidance literature:

4-bromoquinoline; With Bu₃MgLi; In tetrahydrofuran; at -10 ℃; for 2.5h;

With iodine; In tetrahydrofuran; at -10 ℃; for 1h;

DOI:10.1016/S0040-4039(03)00183-7

Reference yield:

4-chloroquinoline (611-35-8) → 4-iodoquinoline (16560-43-3)

Guidance literature:

With sodium iodide; hydrogen iodide; In butanone;

upstream raw materials:

4-trimethylstannyl-quinoline

4-bromoquinoline

4-chloroquinoline

Downstream raw materials:

quinoline

4-(thiophen-2-yl)quinoline

4-ethynylquinoline

1,2,3,4-tetrahydroisoquinoline

Refernces

• 1、 Dumouchel, Sylvain,Mongin, Florence,Trécourt, Fran?ois,Quéguiner, Guy. "Synthesis and reactivity of lithium tri(quinolinyl)magnesates". . p. 8629 - 8640. Retrieved 2007/10/03.
• 2、 -. "Substituted phenyl farnesyltransferase inhibitors". . . Retrieved 2012/09/25.