2-(5-fluoro-1H-indol-3-yl)ethanol

Base Information

• Chemical Name: 2-(5-fluoro-1H-indol-3-yl)ethanol
• CAS No.: 101349-12-6
• Molecular Formula: C10H10FNO
• Molecular Weight: 179.194
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID60545104
• Nikkaji Number: J2.582.339G
• Wikidata: Q82422484
• Mol file: 101349-12-6.mol

Synonyms:2-(5-fluoro-1H-indol-3-yl)ethanol;101349-12-6;2-(5-fluoro-1H-indol-3-yl)ethan-1-ol;1H-Indole-3-ethanol, 5-fluoro-;2-(5-fluoro-1H-indol-3-yl)-ethanol;MFCD09752697;5-Fluoro-3-(2-hydroxyethyl)indole;5-Fluoroindole-3-ethanol;SCHEMBL517983;DTXSID60545104;MXTYSYXDDDVPBQ-UHFFFAOYSA-N;5-Floro-3-(2-hydroxyethyl)indole;AMY34668;AB3772;AKOS005135869;DS-7673;SB14963;SY098456;CS-0052263;A857920

Chemical Property of 2-(5-fluoro-1H-indol-3-yl)ethanol

Chemical Property:

• Melting Point: 89-91℃
• Boiling Point: 361.2±27.0 °C(Predicted)
• PKA: 14.87±0.10(Predicted)
• PSA: 36.02000
• Density: 1.313±0.06 g/cm3(Predicted)
• LogP: 1.84180
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.074642105
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

2-(5-Fluoro-1H-indol-3-yl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)C(=CN2)CCO

Technology Process of 2-(5-fluoro-1H-indol-3-yl)ethanol

There total 15 articles about 2-(5-fluoro-1H-indol-3-yl)ethanol 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%

(5-fluoroindol-3-yl)acetic acid (443-73-2) → 2-(5-fluoro-1H-indol-3-yl)ethanol (101349-12-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1021/jm0304010

Reference yield: 100.0%

ethyl 2-(5-fluoro-1H-indole-3-yl)-2-oxoacetate (127561-11-9) → 2-(5-fluoro-1H-indol-3-yl)ethanol (101349-12-6)

Guidance literature:

With LiAlH₄; In tetrahydrofuran;

Reference yield: 95.0%

2,3-dihydro-2H-furan (1191-99-7,75454-45-4) + 4-fluorophenyhydrazine hydrochloride (823-85-8) → 2-(5-fluoro-1H-indol-3-yl)ethanol (101349-12-6)

Guidance literature:

4-fluorophenyhydrazine hydrochloride; With sulfuric acid; In N,N-dimethyl acetamide; water; at 100 ℃; Microwave irradiation;

2,3-dihydro-2H-furan; In N,N-dimethyl acetamide; water; at 20 - 100 ℃; for 2h;

DOI:10.1021/jm4001538

upstream raw materials:

2-hydroxy-3-(5-fluoro-2-nitrophenyl)oxacyclopentane

(5-fluoroindol-3-yl)acetic acid

methyl 2-(5-fluoro-1H-indol-3-yl)acetate

3-(5-fluoro-2-nitrophenyl)oxacyclopentan-2-one

Downstream raw materials:

6-fluoro-1,1-[3-(dimethylamino-(phenyl)-methyl)-pentamethylene]-1,3,4,9-tetrahydro-pyrano[3,4-b]indole

6-fluoro-1,1-[3-(dimethylamino-(4-fluorophenyl)-methyl)-pentamethylene]-1,3,4,9-tetrahydropyrano[3,4-b]indole

6-fluoro-1,1-[3-(dimethylamino-(3-fluorophenyl)-methyl)-pentamethylene]-1,3,4,9-tetrahydropyrano[3,4-b]indole

6-fluoro-1,1-[3-(dimethylamino-(4-chlorophenyl)-methyl)-pentamethylene]-1,3,4,9-tetrahydropyrano[3,4-b]indole