Ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

Base Information

• Chemical Name: Ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
• CAS No.: 118128-78-2
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.25
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40553146
• Wikidata: Q72506898
• Mol file: 118128-78-2.mol

Synonyms:ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate;118128-78-2;1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLIC ACID ETHYL ESTER;SCHEMBL3500161;DTXSID40553146;IVUBOWZGLSRVFX-UHFFFAOYSA-N;AKOS010053627;AM84267;EN300-6510866;ethyl1,2,3,4-tetrahydroquinoline-5-carboxylate;A803884;A804058;1,2,3,4-Tetrahydroquinoline-5-carboxylicacidethylester;1-tert-butyl?3-methyl?4-oxopiperidine-1,3-dicarboxylate

Chemical Property of Ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

Chemical Property:

• Refractive Index: 1.535
• Boiling Point: 358.3 °C at 760 mmHg
• Flash Point: 170.5 °C
• PSA: 38.33000
• Density: 1.099 g/cm³
• LogP: 2.35940
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1,2,3,4-tetrahydroquinoline-5-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2CCCNC2=CC=C1

Technology Process of Ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

There total 2 articles about Ethyl 1,2,3,4-tetrahydroquinoline-5-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: 50.0%

1,2,3,4-tetrahydro-5-quinolinecarboxylic acid (114527-54-7) + ethanol (64-17-5) → ethyl ester of 1,2,3,4-tetrahydroquinoline-5-carboxylic acid (118128-78-2)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; at 120 ℃; for 0.583333h;

DOI:10.1007/BF00475570

Reference yield:

quinoline-5-carboxylic acid (7250-53-5) → ethyl ester of 1,2,3,4-tetrahydroquinoline-5-carboxylic acid (118128-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / Raney alloy/10percent NaOH / 1 h / 20 °C

2: 50 percent / H₂O₂/H₂SO₄ / 0.58 h / 120 °C

With sodium hydroxide; sulfuric acid; dihydrogen peroxide; nickel;

DOI:10.1007/BF00475570

Reference yield:

ethyl ester of 1,2,3,4-tetrahydroquinoline-5-carboxylic acid (118128-78-2) + phenoxyethyl bromide (589-10-6) → ethyl 1-(2-phenoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxylate (1030848-31-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; potassium iodide; In N,N-dimethyl-formamide; at 120 ℃; for 21h;

upstream raw materials:

1,2,3,4-tetrahydro-5-quinolinecarboxylic acid

ethanol

quinoline-5-carboxylic acid

Downstream raw materials:

ethyl 1-(2-phenoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxylate