5-Fluoro-2-methylindoline

Base Information

• Chemical Name: 5-Fluoro-2-methylindoline
• CAS No.: 825-70-7
• Molecular Formula: C9H10FN
• Molecular Weight: 151.18100
• DSSTox Substance ID: DTXSID60459353
• Nikkaji Number: J1.293.002J
• Mol file: 825-70-7.mol

Synonyms:5-Fluoro-2-methylindoline;825-70-7;5-fluoro-2-methyl-2,3-dihydro-1H-indole;5-fluoro-2,3-dihydro-2-Methyl-1H-Indole;MFCD19300982;2-Methyl-5-fluoroindoline;SCHEMBL8937088;DTXSID60459353;AMY24194;AKOS016006729;SB66169;DS-16533;SY034702;CS-0139415;C76645;EN300-1172642;A864385

Chemical Property of 5-Fluoro-2-methylindoline

Chemical Property:

• Boiling Point: 225-227 °C
• PKA: 5.26±0.40(Predicted)
• PSA: 12.03000
• Density: 1.089±0.06 g/cm3(Predicted)
• LogP: 2.32020
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.079727485
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

5-Fluoro-2-methylindoline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=C(N1)C=CC(=C2)F

Technology Process of 5-Fluoro-2-methylindoline

There total 5 articles about 5-Fluoro-2-methylindoline 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: 82.0%

N-allyl-4-fluoroaniline (83164-79-8) → 5-fluoro-2-methyl-2,3-dihydro-1H-indole (825-70-7)

Guidance literature:

Zn⁽²⁺⁾ montmorillonite; for 0.0666667h; microwave irradiation;

Reference yield: 79.0%

5-fluoro-2-methyl-1H-indole (399-72-4) → 5-fluoro-2-methyl-2,3-dihydro-1H-indole (825-70-7)

Guidance literature:

With sodium cyanoborohydride; acetic acid; at 20 ℃;

DOI:10.1016/j.tetasy.2006.08.012

Reference yield: 33.0%

→ 5-fluoro-2-methyl-2,3-dihydro-1H-indole (825-70-7)

Guidance literature:

upstream raw materials:

N-allyl-4-fluoroaniline

2-allyl-4-fluorophenylamine

5-fluoro-2-methyl-1H-indole

4-fluoroaniline

Refernces

• 1、 Duan, Ying,Li, Lu,Chen, Mu-Wang,Yu, Chang-Bin,Fan, Hong-Jun,Zhou, Yong-Gui. "Homogenous Pd-catalyzed asymmetric hydrogenation of unprotected indoles: Scope and mechanistic studies". supporting information. p. 7688 - 7700. Retrieved 2014/06/10.
• 2、 -. "NOVEL RHO KINASE INHIBITORS AND METHODS OF USE". Page/Page column 68. . Retrieved 2012/10/18.