5-Iodoindoline

Base Information

• Chemical Name: 5-Iodoindoline
• CAS No.: 114144-16-0
• Molecular Formula: C8H8IN
• Molecular Weight: 245.063
• Hs Code.: 2933990090
• European Community (EC) Number: 960-492-6
• Mol file: 114144-16-0.mol

Synonyms:5-Iodoindoline;114144-16-0;5-IODO-2,3-DIHYDRO-1H-INDOLE;1H-Indole, 2,3-dihydro-5-iodo-;SCHEMBL177194;TQP1222;AADZERKEXPUPGY-UHFFFAOYSA-N;MFCD07774207;AKOS004119718;SB30828;SY318404;CS-0120190;F86756;EN300-2967181;A803139

Chemical Property of 5-Iodoindoline

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.654
• Boiling Point: 289.617 ºC at 760 mmHg
• Flash Point: 128.956 ºC
• PSA: 12.03000
• Density: 1.794 g/cm³
• LogP: 2.39720
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 244.97015
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%Min ^*data from raw suppliers

5-IODO-2,3-DIHYDRO-1H-INDOLE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C1C=C(C=C2)I

Technology Process of 5-Iodoindoline

There total 4 articles about 5-Iodoindoline 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: 99.0%

5-iodo-1H-indole (16066-91-4) → 5-iodo-2,3-dihydro-1H-indole (114144-16-0)

Guidance literature:

With sodium cyanoborohydride; acetic acid; at 10 - 20 ℃;

Reference yield: 89.0%

→ 5-iodo-2,3-dihydro-1H-indole (114144-16-0)

Guidance literature:

Reference yield: 86.0%

1-acetyl-2,3-dihydro-5-iodoindole (61995-51-5) → 5-iodo-2,3-dihydro-1H-indole (114144-16-0)

Guidance literature:

With sodium hydroxide; In methanol; water; for 0.5h; Heating;

upstream raw materials:

1-acetyl-2,3-dihydro-5-iodoindole

5-iodo-1H-indole

1-(trifluoroacetyl)-5-iodo-2,3-dihydro-1H-indole

Downstream raw materials:

5-iodoisatin

5-iodo-1H-indole-3-carbaldehyde

5-iodo-1H-indole

Refernces

• 1、 -. "BICYCLIC GPR119 MODULATORS". Page/Page column 42. . Retrieved 2012/06/15.
• 2、 Varnes, Jeffrey G.,Wacker, Dean A.,Jacobson, Irina C.,Quan, Mimi L.,Ellis, Christopher D.,Rossi, Karen A.,He, Ming Y.,Luettgen, Joseph M.,Knabb, Robert M.,Bai, Steven,He, Kan,Lam, Patrick Y.S.,Wexler, Ruth R.. "Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors". . p. 6481 - 6488. Retrieved 2008/03/18.