Ethyl 7-(benzyloxy)-1h-indole-2-carboxylate

Base Information

• Chemical Name: Ethyl 7-(benzyloxy)-1h-indole-2-carboxylate
• CAS No.: 84639-06-5
• Molecular Formula: C18H17NO3
• Molecular Weight: 295.338
• DSSTox Substance ID: DTXSID80531387
• Wikidata: Q82403213
• Mol file: 84639-06-5.mol

Synonyms:ethyl 7-(benzyloxy)-1h-indole-2-carboxylate;84639-06-5;7-benzyloxy-1h-indole-2-carboxylic acid ethyl ester;ethyl 7-phenylmethoxy-1H-indole-2-carboxylate;SCHEMBL4047141;DTXSID80531387;IMKSDZLFVYKGLY-UHFFFAOYSA-N;AMY41631;AKOS030528748;BS-24239;ethyl7-(benzyloxy)-1h-indole-2-carboxylate;CS-0343524;7-benzyloxyindole-2-carboxylic acid ethyl ester;F15946

Chemical Property of Ethyl 7-(benzyloxy)-1h-indole-2-carboxylate

Chemical Property:

• Melting Point: 82-83 °C(Solv: ethanol (64-17-5))
• Boiling Point: 481.4±30.0 °C(Predicted)
• PKA: 14.37±0.30(Predicted)
• PSA: 51.32000
• Density: 1.225±0.06 g/cm3(Predicted)
• LogP: 3.92360
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 295.12084340
• Heavy Atom Count: 22
• Complexity: 367

Purity/Quality:

97% ^*data from raw suppliers

Ethyl7-(benzyloxy)-1H-indole-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(N1)C(=CC=C2)OCC3=CC=CC=C3

Technology Process of Ethyl 7-(benzyloxy)-1h-indole-2-carboxylate

There total 4 articles about Ethyl 7-(benzyloxy)-1h-indole-2-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%

ethyl 3-(3-benzyloxy-2-nitrophenyl)-pyruvate, potassium salt (96564-49-7) → 7-benzyloxyindole-2-carboxylic acid ethyl ester (84639-06-5)

Guidance literature:

With iron; In acetic acid; at 50 - 80 ℃; for 16h;

Reference yield: 76.0%

1-(benzyloxy)-3-methyl-2-nitrobenzene (61535-21-5) + oxalic acid diethyl ester (95-92-1) → 7-benzyloxyindole-2-carboxylic acid ethyl ester (84639-06-5)

Guidance literature:

1-(benzyloxy)-3-methyl-2-nitrobenzene; oxalic acid diethyl ester; With potassium tert-butylate; In diethyl ether; for 22h; Reflux;

With iron; In acetic acid; at 80 ℃; for 17h;

DOI:10.1016/j.tetlet.2009.11.083

Reference yield:

concentrated acetic acid + 1-(benzyloxy)-3-methyl-2-nitrobenzene (61535-21-5) + potassium ethoxide (917-58-8) + oxalic acid diethyl ester (95-92-1) → 7-benzyloxyindole-2-carboxylic acid ethyl ester (84639-06-5)

Guidance literature:

With iron; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; diethyl ether; ethanol;

upstream raw materials:

ethyl 3-(3-benzyloxy-2-nitrophenyl)-pyruvate, potassium salt

1-(benzyloxy)-3-methyl-2-nitrobenzene

potassium ethoxide

oxalic acid diethyl ester

Downstream raw materials:

7-benzyloxy-1H-indole-2-carbonyl chloride

methyl 7-(benzyloxy)-1H-indole-2-carboxylate

butyl 7-benzyloxyindole-2-carboxylate

methyl 4-(2-tert.-butylamino-1-hydroxyethyl)-7-hydroxyindole-2-carboxylate, hydrochloride

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