ethyl 4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate

Base Information

Chemical Name:ethyl 4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate
CAS No.:164366-30-7
Molecular Formula:C₁₃H₁₇NO₃
Molecular Weight:235.283
Hs Code.:
DSSTox Substance ID:DTXSID20446123
Nikkaji Number:J1.217.383K
Wikidata:Q82264704
Mol file:164366-30-7.mol

Synonyms:164366-30-7;ethyl 4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate;4-OXO-4,6,7,8,9,10-HEXAHYDRO-PYRIDO[1,2-A]AZEPINE-1-CARBOXYLIC ACID ETHYL ESTER;Pyrido[1,2-a]azepine-1-carboxylic acid, 4,6,7,8,9,10-hexahydro-4-oxo-, ethyl ester;AGN-PC-0NBQO0;DTXSID20446123;JEJAPOYCPLTZBR-UHFFFAOYSA-N;4-Oxo-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxylic acid ethyl ester

Suppliers and Price of ethyl 4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-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-4,6,7,8,9,10-HEXAHYDRO-PYRIDO-[1,2-A]-AZEPINE-1-CARBOXYLIC ACID ETHYL ESTER 95.00%
5MG
$ 499.39

Total 1 raw suppliers

Chemical Property of ethyl 4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate

Chemical Property:

Boiling Point:399.9±31.0 °C(Predicted)
PKA:-2.42±0.40(Predicted)
PSA：48.30000
Density:1.18±0.1 g/cm3(Predicted)
LogP:1.75140
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:235.12084340
Heavy Atom Count:17
Complexity:396

Purity/Quality:: 4-OXO-4,6,7,8,9,10-HEXAHYDRO-PYRIDO-[1,2-A]-AZEPINE-1-CARBOXYLIC ACID 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=C2CCCCCN2C(=O)C=C1

Technology Process of ethyl 4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate

There total 2 articles about ethyl 4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-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: 98.0%

: diethyl E-4-[(Z)-1,3,4,5,6,7-hexahydroazepin-2-ylidene]-2-pentenedioate

: 164366-30-7
ethyl 4-oxo-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxylate

Guidance literature:: sodium ethanolate; In ethanol; for 2h; Heating;
DOI:10.1016/S0040-4020(99)00937-0

Reference yield:

: 70912-51-5
α-(hexahydroazepinylidene-2) acetate d'ethyle

: 164366-30-7
ethyl 4-oxo-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / ethanol / 30 h / Heating

2: 98 percent / sodium ethoxide / ethanol / 2 h / Heating

sodium ethanolate; In ethanol; 1: Addition / 2: Isomerization;
DOI:10.1016/S0040-4020(99)00937-0