Tert-butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate

Base Information

Chemical Name:Tert-butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate
CAS No.:441313-14-0
Molecular Formula:C₁₆H₂₅N₃O₂
Molecular Weight:291.393
Hs Code.:
DSSTox Substance ID:DTXSID20592477
Wikidata:Q82486610

Synonyms:tert-butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate;441313-14-0;C16H25N3O2;1H-1,4-Diazepine-1-carboxylic acid, 4-(4-aminophenyl)hexahydro-,1,1-dimethylethyl ester;SCHEMBL3194630;DTXSID20592477;HLPLRLFCSHYRPH-UHFFFAOYSA-N;AKOS015957505;AT32515;1-(4-aminophenyl)-4-Boc-homopiperazine;CS-0272857;EN300-236770;J-524622;F2158-1109;4-(4-amino-phenyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Suppliers and Price of Tert-butyl 4-(4-aminophenyl)-1,4-diazepane-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

Total 2 raw suppliers

Chemical Property of Tert-butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:291.19467705
Heavy Atom Count:21
Complexity:346

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=C(C=C2)N

Technology Process of Tert-butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate

There total 4 articles about Tert-butyl 4-(4-aminophenyl)-1,4-diazepane-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: 100.0%

: 441313-14-0
4-(4-aminophenyl)-[1,4]-diazepane-1-carboxylic acid tert-butyl ester

Guidance literature:

Reference yield: 99.0%

: 220220-23-5
tert-butyl 4-(4-nitrophenyl)-1,4-diazepane-1-carboxylate

: 441313-14-0
4-(4-aminophenyl)-[1,4]-diazepane-1-carboxylic acid tert-butyl ester

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In ethanol; for 3h; under 2585.81 Torr;

Reference yield:

: 350-46-9,178603-76-4
4-Fluoronitrobenzene

: 441313-14-0
4-(4-aminophenyl)-[1,4]-diazepane-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: N,N-diisopropylethylamine / acetonitrile / 14 h / Heating

2: H₂ / Ra-Ni / tetrahydrofuran / 5 h / 20 °C / 2585.74 Torr

With hydrogen; N-ethyl-N,N-diisopropylamine; Ra-Ni; In tetrahydrofuran; acetonitrile;
DOI:10.1021/jm049355+