2-(7-ethyl-1H-indol-3-yl)ethanol

Base Information

• Chemical Name: 2-(7-ethyl-1H-indol-3-yl)ethanol
• CAS No.: 41340-36-7
• Molecular Formula: C12H15NO
• Molecular Weight: 189.257
• Hs Code.: 2933990090
• European Community (EC) Number: 431-020-1,609-910-8
• UNII: JJ4LB8KM8O
• DSSTox Substance ID: DTXSID1057741
• Nikkaji Number: J357.718J
• Wikidata: Q72477628
• ChEMBL ID: CHEMBL3182675
• Mol file: 41340-36-7.mol

Synonyms:41340-36-7;7-Ethyltryptophol;2-(7-ethyl-1H-indol-3-yl)ethanol;7-Ethyl tryptophol;7-Ethyl-3-indoleethanol;7-Ethyl-1H-indole-3-ethanol;1H-Indole-3-ethanol, 7-ethyl-;2-(7-Ethyl-1H-indol-3-yl)-ethanol;7-Ethyl-3-(2-hydroxyethyl)indole;CCRIS 5406;RAK-801;JJ4LB8KM8O;BRN 1074382;2-(7-Ethylindol-3-yl)ethanol;DTXSID1057741;EC 431-020-1;Etodolac impurity H;7-ethylindole-3-ethanol;UNII-JJ4LB8KM8O;3-(7-Ethylindole)ethanol;SCHEMBL4803022;CHEMBL3182675;DTXCID2031530;Tox21_113757;7-Ethyl-3-(2-hydroxy ethyl)indole;MFCD01718805;AKOS005259419;2-(3a-ethyl-3aH-indol-3-yl)ethanol;AC-7753;SB37105;NCGC00253629-01;2-(7-ethyl-1H-indol-3-yl)ethan-1-ol;AS-12049;LS-83066;CAS-41340-36-7;E0824;FT-0639708;E-9050;F20442;A825522

Chemical Property of 2-(7-ethyl-1H-indol-3-yl)ethanol

Chemical Property:

• Vapor Pressure: 5.41E-05mmHg at 25°C
• Melting Point: 44-45oC
• Refractive Index: 1.564
• Boiling Point: 377.814 °C at 760 mmHg
• PKA: 14.98±0.10(Predicted)
• Flash Point: 182.296 °C
• PSA: 32.59000
• Density: 1.147 g/cm³
• LogP: 1.66530
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

7-Ethyltryptophol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N,Xn
• Hazard Codes: Xn;N,N,Xn
• Statements: 22-48/22-51/53
• Safety Statements: 2-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C2C(=CC=C1)C(=CN2)CCO
• Uses: 7-Ethyltryptophol (Etodolac EP Impurity H) is a key intermediate in the preparation of the non-steroidal anti-inflammatory drug Etodolac. Key intermediate in the preparation of the non-steroidal anti-inflammatory drug Etodolac.

Technology Process of 2-(7-ethyl-1H-indol-3-yl)ethanol

There total 16 articles about 2-(7-ethyl-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: 98.7%

[1,3]-dioxolan-2-one (96-49-1) + 7-ethyl-1H-indole (22867-74-9) → 7-ethyl-2-(1H-indol-3-yl)ethan-1-ol (41340-36-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 10 - 115 ℃; Temperature; Solvent; Reagent/catalyst;

Reference yield: 85.0%

2,3-dihydro-2H-furan (1191-99-7,75454-45-4) + 2-ethylphenylhydrazine hydrochloride (19398-06-2,58711-02-7) → 7-ethyl-2-(1H-indol-3-yl)ethan-1-ol (41340-36-7)

Guidance literature:

With sodium hydrogencarbonate; In water; at 130 ℃; for 0.833333h; Reagent/catalyst; Solvent; Concentration; Microwave irradiation;

DOI:10.1021/op300363s

Reference yield: 78.0%

4-hydroxybutyraldehyde (25714-71-0) + 2-ethylphenylhydrazine hydrochloride (19398-06-2,58711-02-7) → 7-ethyl-2-(1H-indol-3-yl)ethan-1-ol (41340-36-7)

Guidance literature:

With ethylene glycol; In water; Microwave irradiation;

upstream raw materials:

1,8-diethyl-1-methyl-1,3,4,9-tetrahydropyrano-<3,4-b>indole

2,3-dihydro-7-ethyl-1H-indole-3-ethanol

etodolac

2-ethoxytetrahydrofuran

Downstream raw materials:

(8-ethyl-1-propyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid

6-hydroxyetodolac

methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)-indole-1-acetate

etodolac

Refernces

• 1、 -. "A microwave promoted 7 - ethyl tryptophol continuous synthetic method (by machine translation)". Paragraph 0026-0046. . Retrieved 2018/01/14.
• 2、 Chandra Sekharayya,Venkata Narayana,Nigam, Satish,Madhusudhan. "An improved and scalable process for the synthesis of a key intermediate for Etodolac, a non-steroidal anti-inflammatory drug". . p. 1763 - 1766. Retrieved 2013/03/13.