Isonipecotic acid, 1-allyl-4-phenyl-, ethyl ester

Base Information

• Chemical Name: Isonipecotic acid, 1-allyl-4-phenyl-, ethyl ester
• CAS No.: 2372-70-5
• Molecular Formula: C₁₇H₂₃NO₂
• Molecular Weight: 273.375
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70178381
• Wikipedia: Allylnorpethidine
• Wikidata: Q4733445
• Mol file: 2372-70-5.mol

Synonyms:2372-70-5;ISONIPECOTIC ACID, 1-ALLYL-4-PHENYL-, ETHYL ESTER;ethyl 4-phenyl-1-prop-2-enylpiperidine-4-carboxylate;1-Allyl-4-phenylisonipecotic acid ethyl ester;WIN 7681;BRN 0249362;1-Allyl-4-phenyl-4-carbethoxypiperidine;4-22-00-01009 (Beilstein Handbook Reference);ALLYLNORPETHIDINE;SCHEMBL15735359;DTXSID70178381;LS-85059;FT-0723680;Q4733445;Ethyl 4-phenyl-1-(2-propen-1-yl)-4-piperidinecarboxylate;4-Phenyl-1-(2-propen-1-yl)-4-piperidinecarboxylic acid ethyl ester

Chemical Property of Isonipecotic acid, 1-allyl-4-phenyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 2.72E-05mmHg at 25°C
• Boiling Point: 357.5°Cat760mmHg
• PKA: 7.31±0.10(Predicted)
• Flash Point: 115.7°C
• PSA: 29.54000
• Density: 1.037g/cm³
• LogP: 2.70720
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 273.172878976
• Heavy Atom Count: 20
• Complexity: 326

Purity/Quality:

99%, ^*data from raw suppliers

ISONIPECOTIC ACID, 1-ALLYL-4-PHENYL-, ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCN(CC1)CC=C)C2=CC=CC=C2

Technology Process of Isonipecotic acid, 1-allyl-4-phenyl-, ethyl ester

There total 6 articles about Isonipecotic acid, 1-allyl-4-phenyl-, 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:

4-phenyl-4-cyanopiperidine (40481-13-8) → 1-allyl-4-phenyl-piperidine-4-carboxylic acid ethyl ester (2372-70-5)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide

2: H₂SO₄ / Heating

With sulfuric acid; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2006.12.042

Reference yield:

ethanol (64-17-5) + 1-allyl-4-phenyl-piperidine-4-carbonitrile (855638-84-5) → 1-allyl-4-phenyl-piperidine-4-carboxylic acid ethyl ester (2372-70-5)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1016/j.bmcl.2006.12.042

Reference yield:

N,N-bis(2-chloroethyl)prop-2-en-1-amine (63905-36-2) → 1-allyl-4-phenyl-piperidine-4-carboxylic acid ethyl ester (2372-70-5)

Guidance literature:

Multi-step reaction with 3 steps

1: NaNH₂

2: aqueous H₂SO₄

With sulfuric acid; sodium amide;

DOI:10.1039/jr9500001467

upstream raw materials:

ethanol

1-allyl-4-phenyl-piperidine-4-carbonitrile

4-phenyl-4-cyanopiperidine

N,N-bis(2-chloroethyl)prop-2-en-1-amine

Refernces