ethyl 4-hydroxy-1H-indole-6-carboxylate

Base Information

• Chemical Name: ethyl 4-hydroxy-1H-indole-6-carboxylate
• CAS No.: 1167056-64-5
• Molecular Formula: C11H11NO3
• Molecular Weight: 205.21000
• DSSTox Substance ID: DTXSID701281026
• Mol file: 1167056-64-5.mol

Synonyms:ethyl 4-hydroxy-1H-indole-6-carboxylate;1167056-64-5;1h-indole-6-carboxylic acid,4-hydroxy-,ethyl ester;SCHEMBL15297325;DTXSID701281026;SB15240;ethyl4-hydroxy-1H-indole-6-carboxylate;CS-0366741;F14082

Chemical Property of ethyl 4-hydroxy-1H-indole-6-carboxylate

Chemical Property:

• PSA: 62.32000
• LogP: 2.05020
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

4-Hydroxy-6-indoleCarboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(C=CN2)C(=C1)O

Technology Process of ethyl 4-hydroxy-1H-indole-6-carboxylate

There total 1 articles about ethyl 4-hydroxy-1H-indole-6-carboxylate 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%

4-acetoxy-1H-indole-6-carboxylic acid ethyl ester (885523-81-9) → 4-hydroxy-1H-indole-6-carboxylic acid ethyl ester (1167056-64-5)

Guidance literature:

With potassium carbonate; In ethanol; for 1.5h; Inert atmosphere; Reflux;

DOI:10.1021/jo4014244

Reference yield:

4-hydroxy-1H-indole-6-carboxylic acid ethyl ester (1167056-64-5) → C41H49NO7S (1453472-33-7)

Guidance literature:

Multi-step reaction with 8 steps

1.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C / Inert atmosphere

2.1: sodium hydride / tetrahydrofuran; mineral oil / 0.17 h / 0 °C / Inert atmosphere

2.2: 0.5 h / 0 °C / Inert atmosphere

3.1: diisobutylaluminium hydride / tetrahydrofuran; mineral oil / 0.5 h / 0 °C / Inert atmosphere

4.1: 1H-imidazole / dichloromethane / 0 - 20 °C / Inert atmosphere

5.1: n-butyllithium / hexane; tetrahydrofuran / 0.33 h / -78 °C / Inert atmosphere; Molecular sieve

5.2: 0 °C / Inert atmosphere; Molecular sieve

6.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / 20 °C / Inert atmosphere

7.1: methanesulfonyl chloride; triethylamine; lithium bromide / 0.08 h / 0 °C / Inert atmosphere; Reflux

7.2: 3 h / 0 - 20 °C / Inert atmosphere

7.3: Inert atmosphere

8.1: sodium hydride; 15-crown-5 / tetrahydrofuran; mineral oil / 4 h / 0 °C / Inert atmosphere

With 1H-imidazole; n-butyllithium; 15-crown-5; tetrabutyl ammonium fluoride; sodium hydride; diisobutylaluminium hydride; methanesulfonyl chloride; triethylamine; N-ethyl-N,N-diisopropylamine; lithium bromide; In tetrahydrofuran; hexane; dichloromethane; mineral oil; 7.1: |Arbuzov Reaction / 8.1: |Horner-Wadsworth-Emmons Olefination;

DOI:10.1021/jo4014244

Reference yield:

4-hydroxy-1H-indole-6-carboxylic acid ethyl ester (1167056-64-5) → C20H21NO6S

Guidance literature:

Multi-step reaction with 2 steps

1.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C / Inert atmosphere

2.1: sodium hydride / tetrahydrofuran; mineral oil / 0.17 h / 0 °C / Inert atmosphere

2.2: 0.5 h / 0 °C / Inert atmosphere

With sodium hydride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; mineral oil;

DOI:10.1021/jo4014244

upstream raw materials:

4-acetoxy-1H-indole-6-carboxylic acid ethyl ester

Downstream raw materials:

[4-methoxymethoxy-1-(toluene-4-sulfonyl)-1H-indol-6-ylmethyl]phosphonic acid diethyl ester

toluene-4-sulfonic acid 5-methoxymethoxy-7-[2-(4-methoxymethoxy-1H-indol-6-yl)vinyl]-1,1,4a-trimethyl-(2R,4aR,9aR)-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2-yl ester

toluene-4-sulfonic acid 5-methoxy-7-[2-(4-methoxymethoxy-1H-indol-6-yl)vinyl]-1,1,4a-trimethyl-(2R,4aR,9aR)-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2-yl ester

C₄₁H₄₉NO₇S

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