2-(4-bromo-1H-indol-3-yl)ethanol

Base Information

• Chemical Name: 2-(4-bromo-1H-indol-3-yl)ethanol
• CAS No.: 202753-56-8
• Molecular Formula: C10H10BrNO
• Molecular Weight: 240.099
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40583307
• Nikkaji Number: J2.705.618K
• Wikidata: Q72513657
• Mol file: 202753-56-8.mol

Synonyms:2-(4-bromo-1H-indol-3-yl)ethanol;202753-56-8;4-Bromotryptophol;2-(4-bromo-1H-indol-3-yl)ethan-1-ol;1H-Indole-3-ethanol, 4-bromo-;1H-Indole-3-ethanol,4-bromo-;4-bromotryp-tophol;SCHEMBL4229463;DTXSID40583307;CIA75356;MFCD08275164;AKOS015835534;MB06064;DS-11783;AM20210034;CS-0156993;C73829;A814373;J-505905;ethyl 1-(2-amino-2-oxoethyl)-5-methyl-1h-pyrazole-3-carboxylate

Chemical Property of 2-(4-bromo-1H-indol-3-yl)ethanol

Chemical Property:

• Vapor Pressure: 1.65E-07mmHg at 25°C
• Refractive Index: 1.699
• Boiling Point: 411.5 °C at 760 mmHg
• Flash Point: 202.6 °C
• PSA: 36.02000
• Density: 1.618 g/cm³
• LogP: 2.46520
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 238.99458
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

4-Bromotryptophol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-bromo-1H-indol-3-yl)ethanol

There total 6 articles about 2-(4-bromo-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: 91.0%

methyl 2-(4-bromo-1H-indol-3-yl)-2-oxoacetate (425640-16-0) → 2-(1H-4-bromoindol-3-yl)-ethanol (202753-56-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 4h; Reflux; Inert atmosphere;

DOI:10.1021/ol5013263

Reference yield: 63.0%

ethyl (4-bromo-indol-3-yl)glyoxylate (214915-73-8) → 2-(1H-4-bromoindol-3-yl)-ethanol (202753-56-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Heating;

DOI:10.1021/jm061278q

Reference yield:

4-bromo-1H-indole (52488-36-5) → 2-(1H-4-bromoindol-3-yl)-ethanol (202753-56-8)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether / 10 h / 20 °C

2: 2.3 g / 20 °C

3: 63 percent / lithium aluminum hydride / tetrahydrofuran / 2 h / Heating

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether;

DOI:10.1021/jm061278q

upstream raw materials:

ethyl (4-bromo-indol-3-yl)glyoxylate

4-bromo-1H-indole

2-(4-bromo-1H-indol-3-yl)-2-oxoacetyl chloride

methyl 2-(4-bromo-1H-indol-3-yl)-2-oxoacetate

Downstream raw materials:

4-bromo-3-(p-toluenesulfonyloxyethyl)-1-(p-toluenesulfonyl)indole

4-bromoindole-3-acetaldehyde

tert-butyl 4-bromo-3-(2-hydroxyethyl)-1H-indole-1-carboxylate