2-[1-(Piperidinomethyl)vinyl]benzoic acid ethyl ester

Base Information

• Chemical Name: 2-[1-(Piperidinomethyl)vinyl]benzoic acid ethyl ester
• CAS No.: 1174636-78-2
• Molecular Formula: C₁₇H₂₃NO₂
• Molecular Weight: 273.375
• DSSTox Substance ID: DTXSID601239377
• Nikkaji Number: J2.757.323A
• Mol file: 1174636-78-2.mol

Synonyms:DTXSID601239377;Ethyl 2-[1-(1-piperidinylmethyl)ethenyl]benzoate;2-[1-(Piperidinomethyl)vinyl]benzoic acid ethyl ester;1174636-78-2

Chemical Property of 2-[1-(Piperidinomethyl)vinyl]benzoic acid ethyl ester

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 273.172878976
• Heavy Atom Count: 20
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(=C)CN2CCCCC2

Technology Process of 2-[1-(Piperidinomethyl)vinyl]benzoic acid ethyl ester

There total 2 articles about 2-[1-(Piperidinomethyl)vinyl]benzoic acid ethyl ester 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: 60.0%

piperidine (110-89-4) + ethyl (2-(tributylstannyl)allyl) carbonate (291527-20-3) + ethyl 2-iodobenzoate (1829-28-3) → ethyl 2-(3-(piperidin-1-yl)prop-1-en-2-yl)benzoate (1174636-78-2)

Guidance literature:

piperidine; ethyl (2-(tributylstannyl)allyl) carbonate; With bis(η3-allyl-μ-chloropalladium(II)); triphenylphosphine; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

ethyl 2-iodobenzoate; In N,N-dimethyl-formamide; at 100 ℃; for 5h; Inert atmosphere;

DOI:10.1039/c0ob00945h

Reference yield: 34.0%

piperidine (110-89-4) + ethyl 2-(tributylstannyl)allyl carbonate + ethyl 2-iodobenzoate (1829-28-3) → ethyl 2-(3-(piperidin-1-yl)prop-1-en-2-yl)benzoate (1174636-78-2)

Guidance literature:

piperidine; ethyl 2-(tributylstannyl)allyl carbonate; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h; Inert atmosphere;

ethyl 2-iodobenzoate; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 65 - 90 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol901415p

upstream raw materials:

piperidine

ethyl 2-iodobenzoate

ethyl (2-(tributylstannyl)allyl) carbonate