Methyl 6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate

Base Information

Chemical Name:Methyl 6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate
CAS No.:17891-06-4
Molecular Formula:C₁₁H₁₃NO₃
Molecular Weight:207.229
Hs Code.:2918300090
DSSTox Substance ID:DTXSID10450456
Mol file:17891-06-4.mol

Synonyms:17891-06-4;Methyl 4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate;Methyl 6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate;Methyl 6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxylate;2H-Quinolizine-9-carboxylic acid, 1,3,4,6-tetrahydro-6-oxo-, methyl ester;4-OXO-6,7,8,9-TETRAHYDRO-4H-QUINOLIZINE-1-CARBOXYLIC ACID METHYL ESTER;DTXSID10450456;QRGWYGYVCJSIKS-UHFFFAOYSA-N

Suppliers and Price of Methyl 6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4-OXO-6,7,8,9-TETRAHYDRO-4H-QUINOLIZINE-1-CARBOXYLIC ACID METHYL ESTER 95.00%
5MG
$ 500.04

Total 3 raw suppliers

Chemical Property of Methyl 6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate

Chemical Property:

Melting Point:143-144 °C
Boiling Point:376.5±31.0 °C(Predicted)
PKA:-2.51±0.40(Predicted)
PSA：48.30000
Density:1.24±0.1 g/cm3(Predicted)
LogP:0.97120
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:207.08954328
Heavy Atom Count:15
Complexity:368

Purity/Quality:

99% ^*data from raw suppliers

4-OXO-6,7,8,9-TETRAHYDRO-4H-QUINOLIZINE-1-CARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C2CCCCN2C(=O)C=C1

Technology Process of Methyl 6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate

There total 9 articles about Methyl 6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate 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: 85.0%

: 186083-32-9
3-(ethylsulfenyl)-4-oxo-6,7,8,9-tetrahydro-4H-quinolizine-1-carboxylic acid methyl ester

: 17891-06-4
4-oxo-6,7,8,9-tetrahydro-4H-quinolizine-1-carboxylic acid methyl ester

Guidance literature:: With Ra-Ni;
DOI:10.1021/jo961986r

Reference yield:

: 186083-27-2
1-((ethylsulfinyl)acetyl)piperidin-2-one

: 17891-06-4
4-oxo-6,7,8,9-tetrahydro-4H-quinolizine-1-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 51 percent / acetic anhydride; p-toluenesulfonic acid / toluene / 0.25 h / 90 °C

2: 62 percent / BF₃*Et₂O / CH₂Cl₂ / 3 h / 20 °C

3: 85 percent / Raney nickel / ethanol / 0.5 h / Heating

With boron trifluoride diethyl etherate; acetic anhydride; nickel; toluene-4-sulfonic acid; In ethanol; dichloromethane; toluene; 1: Cycloaddition / 2: Elimination / 3: Reduction;
DOI:10.1021/jo9915729

Reference yield:

: 8-(ethylsulfenyl)-7-oxo-11-oxa-6-aza-tricyclo[6.2.1.0^1,6]undecane-10-carboxylic acid methyl ester

: 17891-06-4
4-oxo-6,7,8,9-tetrahydro-4H-quinolizine-1-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 62 percent / BF₃*Et₂O / CH₂Cl₂ / 3 h / 20 °C

2: 85 percent / Raney nickel / ethanol / 0.5 h / Heating

With boron trifluoride diethyl etherate; nickel; In ethanol; dichloromethane; 1: Elimination / 2: Reduction;
DOI:10.1021/jo9915729