2-Phenylethyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate

Base Information

• Chemical Name: 2-Phenylethyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate
• CAS No.: 145071-38-1
• Molecular Formula: C₁₆H₂₀N₂O₃
• Molecular Weight: 288.346
• Mol file: 145071-38-1.mol

Synonyms:145071-38-1;BRN 5823792;2-Phenylethyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate;1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 2-phenylethyl ester, (E)-;2-Phenylethyl 5-[(E)-(methoxyimino)methyl]-3,6-dihydro-1(2H)-pyridinecarboxylate;2-phenylethyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate;1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 2-phenylethyl ester, (E)-;JDOQFCLBKHCQSK-SFQUDFHCSA-N;LS-130907

Chemical Property of 2-Phenylethyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 425.912°C at 760 mmHg
• Flash Point: 211.384°C
• PSA: 51.13000
• Density: 1.117g/cm³
• LogP: 2.56790
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 288.14739250
• Heavy Atom Count: 21
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON=CC1=CCCN(C1)C(=O)OCCC2=CC=CC=C2
• Isomeric SMILES: CO/N=C/C1=CCCN(C1)C(=O)OCCC2=CC=CC=C2

Technology Process of 2-Phenylethyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate

There total 2 articles about 2-Phenylethyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate 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: 76.0%

2-phenylethyl chloroformate (57913-41-4) + 1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-methyloxime hydrochloride (114485-47-1) → Methyl ether of 1-[2-(phenyl)-ethyloxy]-carbonyl-1,2,5,6-tetrahydropyridin-3-carboxaldehyde oxime (121750-68-3,145071-38-1)

Guidance literature:

With triethylamine; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1016/0223-5234(92)90186-5

Reference yield:

2-phenylethyl chloroformate (57913-41-4) + 1,2,5,6-tetrahydro-3-pyridine carboxaldehyde O-methyloxime (114485-41-5) → Methyl ether of 1-[2-(phenyl)-ethyloxy]-carbonyl-1,2,5,6-tetrahydropyridin-3-carboxaldehyde oxime (121750-68-3,145071-38-1)

Guidance literature:

With triethylamine; In benzene;

upstream raw materials:

2-phenylethyl chloroformate

1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-methyloxime hydrochloride

1,2,5,6-tetrahydro-3-pyridine carboxaldehyde O-methyloxime

Refernces

• 1、 -. "Carbamate derivatives of the oxime of 1,2,5,6-tetrahydropyridin-3-carboxaldehyde, their use as medicaments and compositions containing them". . . Retrieved 2008/06/13.