Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
• CAS No.: 318280-71-6
• Molecular Formula: C10H16ClNO3
• Molecular Weight: 233.695
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID70353116
• Wikidata: Q72473478
• Mol file: 318280-71-6.mol

Synonyms:ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate;318280-71-6;Ethyl 1-(2-chloroacetyl)-4-piperidinecarboxylate;ethyl 1-(chloroacetyl)piperidine-4-carboxylate;ETHYL 1-(2-CHLORO-ACETYL)PIPERIDIN-4-CARBOXYLATE;F9995-0710;SCHEMBL5605709;DTXSID70353116;MFCD01480849;STL138428;AKOS000293147;SB43336;AS-55140;CS-0307524;FT-0625813;EN300-01644;Y10184;J-520482;Z56922080

Chemical Property of Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 6.01E-05mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 345.8 °C at 760 mmHg
• PKA: -1.90±0.40(Predicted)
• Flash Point: 162.9 °C
• PSA: 46.61000
• Density: 1.202 g/cm³
• LogP: 0.96480
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 233.0818711
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

95% ^*data from raw suppliers

Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: C,Xi
• Statements: 20/21/22
• Safety Statements: 24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCN(CC1)C(=O)CCl

Technology Process of Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate

There total 1 articles about Ethyl 1-(2-chloroacetyl)piperidine-4-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: 100.0%

4-carbethoxypiperidine (1126-09-6) + chloroacetyl chloride (79-04-9) → ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate (318280-71-6)

Guidance literature:

In dichloromethane; at 0 ℃; for 1h;

DOI:10.1016/j.bioorg.2021.105581

Reference yield: 68.0%

ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate (318280-71-6) + 5-benzyloxy-1H-indole (1215-59-4) → ethyl 1-(2-(5-(benzyloxy)-1H-indol-1-yl)acetyl)piperidine-4-carboxylate

Guidance literature:

5-benzyloxy-1H-indole; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.333333h;

ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 24h;

DOI:10.1016/j.bioorg.2021.105581

Reference yield:

ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate (318280-71-6) → 1-(2-(5-(benzyloxy)-1H-indol-1-yl)acetyl)piperidine-4-carboxylic acid

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.33 h / 0 °C

1.2: 24 h / 20 °C

2.1: potassium hydroxide; water / 1,4-dioxane / 2 h / 20 °C

With water; sodium hydride; potassium hydroxide; In 1,4-dioxane; N,N-dimethyl-formamide; mineral oil;

DOI:10.1016/j.bioorg.2021.105581

upstream raw materials:

4-carbethoxypiperidine

chloroacetyl chloride

Downstream raw materials:

1-chloroacetylpiperidine-4-carboxylic acid