ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate

Base Information

• Chemical Name: ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate
• CAS No.: 43142-76-3
• Molecular Formula: C12H10 Cl N O3
• Molecular Weight: 251.67
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90402973
• Nikkaji Number: J902.015B
• Wikidata: Q82206504
• Mol file: 43142-76-3.mol

Synonyms:ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate;43142-76-3;5-Chloro-3-formyl-1H-indole-2-carboxylic acid ethyl ester;SCHEMBL1503856;DTXSID90402973;JSJQTSYYPLBOFH-UHFFFAOYSA-N;MFCD02257705;AKOS001476247;AB11648;VS-07148;BB 0249878;Ethyl 5-chloro-3-formylindole-2-carboxylate;FT-0745621;E76329;EN300-240228;ethyl5-chloro-3-formyl-1H-indole-2-carboxylate;A826178;5-chloro-3-formylindole-2-carboxylic acid ethyl ester;F2113-0049;5-Chloro-3-formyl-1H-indole-2-carboxylic acid ethyl ester

Chemical Property of ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.42E-08mmHg at 25°C
• Refractive Index: 1.662
• Boiling Point: 458°Cat760mmHg
• PKA: 12.60±0.30(Predicted)
• Flash Point: 230.8°C
• PSA: 59.16000
• Density: 1.399g/cm³
• LogP: 2.81050
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 251.0349209
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-3-formyl-1h-indole-2-carboxylicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C=O

Technology Process of ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate

There total 8 articles about ethyl 5-chloro-3-formyl-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: 96.0%

5-chloro-indole-2-carboxylic acid ethyl ester (4792-67-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-chloro-3-formyl-1H-indole-2-carboxylic acid ethyl ester (43142-76-3)

Guidance literature:

5-chloro-indole-2-carboxylic acid ethyl ester; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 0.166667h;

With trichlorophosphate; In dichloromethane; for 20h; Reflux;

DOI:10.1016/j.bioorg.2021.104960

Reference yield: 78.0%

5-chloro-indole-2-carboxylic acid ethyl ester (4792-67-0) + N-methyl-N-phenylformamide (93-61-8) → 5-chloro-3-formyl-1H-indole-2-carboxylic acid ethyl ester (43142-76-3)

Guidance literature:

N-methyl-N-phenylformamide; With trichlorophosphate; for 0.25h;

5-chloro-indole-2-carboxylic acid ethyl ester; In 1,2-dichloro-ethane; for 1h; Reflux;

DOI:10.1016/j.bmc.2009.10.023

Reference yield:

sodium acetate (127-09-3) → 5-chloro-3-formyl-1H-indole-2-carboxylic acid ethyl ester (43142-76-3)

Guidance literature:

N-methyl-N-phenylformamide; With trichlorophosphate; for 0.25h;

5-chloro-indole-2-carboxylic acid ethyl ester; In 1,2-dichloro-ethane; for 1h; Heating / reflux;

sodium acetate; In water; 1,2-dichloro-ethane; at 0 ℃; for 18h;

upstream raw materials:

5-chloro-indole-2-carboxylic acid ethyl ester

N-methyl-N-phenylformamide

sodium acetate

1,2-dichloro-ethane

Downstream raw materials:

C₁₈H₁₃Cl₃N₂O₂

C₁₈H₁₄Cl₂N₂O₂

C₁₉H₁₇ClN₂O₃

C₁₈H₁₅ClN₂O₂

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