3,6-Dihydro-5-(2-propenyloxy)-1(2H)-pyridinecarboxylic acid phenylmethyl ester

Base Information

• Chemical Name: 3,6-Dihydro-5-(2-propenyloxy)-1(2H)-pyridinecarboxylic acid phenylmethyl ester
• CAS No.: 244056-96-0
• Molecular Formula: C16H19 N O3
• Molecular Weight: 273.33
• DSSTox Substance ID: DTXSID30441846
• Nikkaji Number: J1.196.763I
• Wikidata: Q82258819
• Mol file: 244056-96-0.mol

Synonyms:244056-96-0;3,6-DIHYDRO-5-(2-PROPENYLOXY)-1(2H)-PYRIDINECARBOXYLIC ACID PHENYLMETHYL ESTER;benzyl 5-prop-2-enoxy-3,6-dihydro-2H-pyridine-1-carboxylate;5-ALLYLOXY-3,6-DIHYDRO-2H-PYRIDINE-1-CARBOXYLIC ACID BENZYL ESTER;Benzyl 3-(allyloxy)-5,6-dihydropyridine-1(2H)-carboxylate;Benzyl 5-(Allyloxy)-3,6-dihydro-1(2H)-pyridinecarbonate;DTXSID30441846;HPOAPZDEEXULPS-UHFFFAOYSA-N;AKOS025294979;SB21099;CS-0450285;FT-0667001;P11022;J-015503;Benzyl 5-(allyloxy)-3,6-dihydropyridine-1(2H)-carboxylate;3-(Allyloxy)-1,2,5,6-tetrahydropyridine 1-carboxylic acid benzyl ester;benzyl 5-(prop-2-en-1-yloxy)-1,2,3,6-tetrahydropyridine-1-carboxylate

Chemical Property of 3,6-Dihydro-5-(2-propenyloxy)-1(2H)-pyridinecarboxylic acid phenylmethyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 418.732°C at 760 mmHg
• PKA: -2.43±0.40(Predicted)
• Flash Point: 207.042°C
• PSA: 38.77000
• Density: 1.14g/cm³
• LogP: 3.05330
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 273.13649347
• Heavy Atom Count: 20
• Complexity: 359

Purity/Quality:

97% ^*data from raw suppliers

3,6-Dihydro-5-(2-propenyloxy)-1(2H)-pyridinecarboxylicAcidPhenylmethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=CCCN(C1)C(=O)OCC2=CC=CC=C2
• Uses: 3,6-Dihydro-5-(2-propenyloxy)-1(2H)-pyridinecarboxylic Acid Phenylmethyl Ester (cas# 244056-96-0) is a compound useful in organic synthesis.

Technology Process of 3,6-Dihydro-5-(2-propenyloxy)-1(2H)-pyridinecarboxylic acid phenylmethyl ester

There total 5 articles about 3,6-Dihydro-5-(2-propenyloxy)-1(2H)-pyridinecarboxylic acid phenylmethyl 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: 93.0%

benzyl chloroformate (501-53-1,94274-21-2) + 5-(Allyloxy)-1-benzyl-1,2,3,6-tetrahydropyridine (244056-95-9) → benzyl 1-(3-allyloxy-1,2,5,6-tetrahydropyridine)carboxylate (244056-96-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1055/s-1999-3583

Reference yield:

1-Benzyl-3-hydroxypyridinium chloride (3323-73-7) → benzyl 1-(3-allyloxy-1,2,5,6-tetrahydropyridine)carboxylate (244056-96-0)

Guidance literature:

Multi-step reaction with 3 steps

1: NaH / methanol / Heating

2: NaBH₄ / methanol / 0 °C

3: tetrahydrofuran / 20 °C

With sodium tetrahydroborate; sodium hydride; In tetrahydrofuran; methanol;

DOI:10.1021/jm0302086

Reference yield:

3-allyloxy-1-benzyl-pyridinium; chloride → benzyl 1-(3-allyloxy-1,2,5,6-tetrahydropyridine)carboxylate (244056-96-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / methanol / 0 °C

2: tetrahydrofuran / 20 °C

With sodium tetrahydroborate; In tetrahydrofuran; methanol;

DOI:10.1021/jm0302086

upstream raw materials:

benzyl chloroformate

5-(Allyloxy)-1-benzyl-1,2,3,6-tetrahydropyridine

3-HYDROXYPYRIDINE

1-Benzyl-3-hydroxypyridinium chloride

Downstream raw materials:

dl-febrifugine

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