Tert-butyl 2-oxoazepane-1-carboxylate

Base Information

Chemical Name:Tert-butyl 2-oxoazepane-1-carboxylate
CAS No.:106412-36-6
Molecular Formula:C11H19 N O3
Molecular Weight:213.277
Hs Code.:2933790090
European Community (EC) Number:686-986-9
DSSTox Substance ID:DTXSID20465430
Nikkaji Number:J978.681C
Wikidata:Q82291371
Mol file:106412-36-6.mol

Synonyms:Tert-butyl 2-oxoazepane-1-carboxylate;106412-36-6;N-Boc-epsilon-caprolactam;1-Boc-2-oxoazepane;SCHEMBL5421438;DTXSID20465430;N-Boc-epsilon-caprolactam, 97%;t-Butyl 2-oxoazepane-1-carboxylate;MFCD03265235;AKOS015960214;s12102;AS-54561;CS-0079206;EN300-135718

Suppliers and Price of Tert-butyl 2-oxoazepane-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

TRC
tert-Butyl2-Oxoazepane-1-carboxylate
50mg
$ 45.00

Sigma-Aldrich
N-Boc-ω-caprolactam 97%
5g
$ 93.00

Crysdot
tert-Butyl2-oxoazepane-1-carboxylate 97%
1g
$ 175.00

Chemenu
tert-Butyl2-oxoazepane-1-carboxylate 97%
5g
$ 421.00

Chemenu
tert-Butyl2-oxoazepane-1-carboxylate 97%
25g
$ 1262.00

Chemenu
tert-Butyl2-oxoazepane-1-carboxylate 97%
10g
$ 673.00

American Custom Chemicals Corporation
N-BOC-CYCLOHEXAMIDE 95.00%
5MG
$ 505.56

Alichem
tert-Butyl2-oxoazepane-1-carboxylate
25g
$ 1431.00

Alichem
tert-Butyl2-oxoazepane-1-carboxylate
5g
$ 468.00

AK Scientific
N-Boc-ε-caprolactam
5g
$ 167.00

Total 12 raw suppliers

Chemical Property of Tert-butyl 2-oxoazepane-1-carboxylate

Chemical Property:

Melting Point:35-37 °C
Refractive Index:n20/D1.468
Boiling Point:120 °C(Press: 0.03 Torr)
PKA:-2.29±0.20(Predicted)
Flash Point:>110℃
PSA：55.40000
Density:1.038 g/mL at 25 °C
LogP:3.00890
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:213.13649347
Heavy Atom Count:15
Complexity:255

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-Oxoazepane-1-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,N
Hazard Codes:Xi,N
Statements: 36/37/38-50
Safety Statements: 26-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCCCCC1=O

Technology Process of Tert-butyl 2-oxoazepane-1-carboxylate

There total 2 articles about Tert-butyl 2-oxoazepane-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: 95.0%

: 105-60-2,9012-16-2
caprolactam

: 24424-99-5
di-tert-butyl dicarbonate

: 106412-36-6
tert-butyl 2-oxoazepane-1-carboxylate

Guidance literature:: With dmap; In neat (no solvent); for 4h; Milling;
DOI:10.1016/j.tetlet.2020.152140

Reference yield: 53.0%

: 1034708-26-3
1-(tert-butoxycarbonyl)-azepane-2-carboxylic acid

: 106412-36-6
tert-butyl 2-oxoazepane-1-carboxylate

Guidance literature:: With (2,2'-dipyridyl)bis(5-methyl-2-(4-fluoro)phenylpyridine-N,C)iridium(III) hexafluorophosphate; oxygen; 1,1'-diethyl-4,4'-bipyridinium diperchlorate; cesium fluoride; In ethyl acetate; at 20 ℃; for 16h; under 760.051 Torr; Irradiation;
DOI:10.1002/ijch.201900130

Reference yield: 95.0%

: 106412-36-6
tert-butyl 2-oxoazepane-1-carboxylate

: 105-60-2,9012-16-2
caprolactam

Guidance literature:: With copper(II) bis(trifluoromethanesulfonate); In dichloromethane; at 50 ℃; for 18h; Sealed tube;
DOI:10.1016/j.tet.2014.07.080