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

Base Information

• Chemical Name: 2-Propenyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate
• CAS No.: 145071-36-9
• Molecular Formula: C₁₁H₁₆N₂O₃
• Molecular Weight: 224.26
• Mol file: 145071-36-9.mol

Synonyms:BRN 5813476;145071-36-9;121750-61-6;2-Propenyl (E)-3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate;Methyl ether of 1-allyloxycarbonyl-1,2,5,6-tetrahydropyridin-3-carboxaldehyde oxime;2-Propenyl 3,6-dihydro-5-((methoxyimino)methyl)-1(2H)-pyridinecarboxylate;1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 2-propenyl ester;1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 2-propenyl ester, (E)-;prop-2-enyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate;1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 2-propenyl ester;1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 2-propenyl ester, (E)-;LS-130909;LS-130910;L002562

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

Chemical Property:

• Boiling Point: 318.9±52.0 °C(Predicted)
• PKA: -2.18±0.40(Predicted)
• PSA: 51.13000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 1.51120
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 310

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 2-Propenyl (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: 94.0%

1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-methyloxime hydrochloride (114485-47-1) + Allyl chloroformate (2937-50-0) → Methyl ether of 1-allyloxycarbonyl-1,2,5,6-tetrahydropyridin-3-carboxaldehyde oxime (121750-61-6,145071-36-9)

Guidance literature:

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

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

Reference yield:

1,2,5,6-tetrahydro-3-pyridine carboxaldehyde O-methyloxime (114485-41-5) + Allyl chloroformate (2937-50-0) → Methyl ether of 1-allyloxycarbonyl-1,2,5,6-tetrahydropyridin-3-carboxaldehyde oxime (121750-61-6,145071-36-9)

Guidance literature:

With hydrogenchloride; triethylamine; In water; benzene;

upstream raw materials:

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

Allyl chloroformate

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.