Ethyl 1-benzyl-5-oxoazepane-4-carboxylate

Base Information

Chemical Name:Ethyl 1-benzyl-5-oxoazepane-4-carboxylate
CAS No.:19673-12-2
Molecular Formula:C16H21NO3
Molecular Weight:275.348
Hs Code.:2933990090
DSSTox Substance ID:DTXSID00500010
Mol file:19673-12-2.mol

Synonyms:Ethyl 1-benzyl-5-oxoazepane-4-carboxylate;19673-12-2;MFCD11045474;Hexahydro-5-oxo-1-(phenylmethyl)-1H-azepine-4-carboxylic acid ethyl ester;Ethyl1-Benzyl-5-oxoazepane-4-carboxylate;SCHEMBL1622710;DTXSID00500010;YYCFGTMTPVIMLW-UHFFFAOYSA-N;AKOS016000710;AS-32401;SY018711;CS-0324062;Ethyl 1-benzyl-5-oxo-azepane-4-carboxylate;A880078;ethyl 1-benzyl-5-oxoperhydroazepine-4-carboxylate

Suppliers and Price of Ethyl 1-benzyl-5-oxoazepane-4-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

Crysdot
Ethyl1-benzyl-5-oxoazepane-4-carboxylate 95+%
5g
$ 428.00

Chemenu
Ethyl1-benzyl-5-oxoazepane-4-carboxylate 95%
5g
$ 400.00

American Custom Chemicals Corporation
ETHYL-1-BENZYL-5-OXOAZEPANE-4-CARBOXYLATE 95.00%
5MG
$ 503.43

Alichem
Ethyl1-benzyl-5-oxoazepane-4-carboxylate
5g
$ 705.99

AK Scientific
Ethyl1-benzyl-5-oxoazepane-4-carboxylate
1g
$ 276.00

Total 10 raw suppliers

Chemical Property of Ethyl 1-benzyl-5-oxoazepane-4-carboxylate

Chemical Property:

PSA：46.61000
Density:1.127
LogP:1.96870
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:275.15214353
Heavy Atom Count:20
Complexity:337

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-benzyl-5-oxoazepane-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1CCN(CCC1=O)CC2=CC=CC=C2

Technology Process of Ethyl 1-benzyl-5-oxoazepane-4-carboxylate

There total 2 articles about Ethyl 1-benzyl-5-oxoazepane-4-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: 27.0%

: 623-73-4
diazoacetic acid ethyl ester

: 3612-20-2
1-phenylmethyl-4-piperidone

: 19673-12-2
1-benzyl-5-oxo-azepane-4-carboxylic acid ethyl ester

Guidance literature:: diazoacetic acid ethyl ester; 1-phenylmethyl-4-piperidone; With boron trifluoride diethyl etherate; In tetrahydrofuran; at -25 - 0 ℃; for 2h;

With sodium hydrogencarbonate; In tetrahydrofuran; water;

Reference yield:

: 19673-12-2
1-benzyl-5-oxo-azepane-4-carboxylic acid ethyl ester

Guidance literature:: 1-Benzyl-piperid-4-on, BF3-Et2O;

Reference yield: 49.0%

: 19673-12-2
1-benzyl-5-oxo-azepane-4-carboxylic acid ethyl ester

: 5504-24-5
2-phenylacetamidine

: 1065114-13-7
2,7-dibenzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-one

Guidance literature:: 1-benzyl-5-oxo-azepane-4-carboxylic acid ethyl ester; 2-phenylacetamidine; With ethanol; sodium; at 0 ℃; for 17h; Heating / reflux;

With water; In ethanol;