Tert-butyl 1,4-diazepane-5-carboxylate

Base Information

Chemical Name:Tert-butyl 1,4-diazepane-5-carboxylate
CAS No.:138883-20-2
Molecular Formula:C10H20N2O2
Molecular Weight:200.281
Hs Code.:2933990090
DSSTox Substance ID:DTXSID50568928
Mol file:138883-20-2.mol

Synonyms:tert-butyl 1,4-diazepane-5-carboxylate;138883-20-2;[1,4]Diazepane-5-carboxylic acid tert-butyl ester;1H-1,4-Diazepine-5-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester;SCHEMBL5651571;DTXSID50568928;MIKHWQZLGQQLTG-UHFFFAOYSA-N;EN300-358898;[1,4]-diazepane-5-carboxylic acid tert-butyl ester

Suppliers and Price of Tert-butyl 1,4-diazepane-5-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
[1,4]DIAZEPANE-5-CARBOXYLIC ACID TERT-BUTYL ESTER 95.00%
5MG
$ 496.79

Total 2 raw suppliers

Chemical Property of Tert-butyl 1,4-diazepane-5-carboxylate

Chemical Property:

Vapor Pressure:0.004mmHg at 25°C
Refractive Index:1.449
Boiling Point:279.3°Cat760mmHg
Flash Point:122.7°C
PSA：50.36000
Density:0.984g/cm³
LogP:0.93720
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:200.152477885
Heavy Atom Count:14
Complexity:199

Purity/Quality:

99.0%min ^*data from raw suppliers

[1,4]DIAZEPANE-5-CARBOXYLIC ACID TERT-BUTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1CCNCCN1

Technology Process of Tert-butyl 1,4-diazepane-5-carboxylate

There total 2 articles about Tert-butyl 1,4-diazepane-5-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: 80.0%

: 138883-21-3
(+/-)-tert-butyl 1,4-dibenzyl-1,4-diazepane-5-carboxylate

: 138883-20-2
(+/-)-tert-butyl 1,4-diazepane-5-carboxylate

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr; Ambient temperature;

Reference yield:

: 77629-96-0,71725-02-5
2,4-dibromobutyric acid tert-butyl ester

: 138883-20-2
(+/-)-tert-butyl 1,4-diazepane-5-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂

2: H₂ / Pd/C

With hydrogen; triethylamine; palladium on activated charcoal; In dichloromethane;
DOI:10.1016/j.bmcl.2005.01.053