1-Benzyl-1,4-diazepan-5-one

Base Information

Chemical Name:1-Benzyl-1,4-diazepan-5-one
CAS No.:55186-89-5
Molecular Formula:C12H16 N2 O
Molecular Weight:204.272
Hs Code.:2933990090
European Community (EC) Number:674-425-0
NSC Number:45105
DSSTox Substance ID:DTXSID90286376
Wikidata:Q72441046
Mol file:55186-89-5.mol

Synonyms:1-benzyl-1,4-diazepan-5-one;55186-89-5;1-benzyl-[1,4]diazepan-5-one;MFCD00225259;NSC45105;Peakdale1_000767;Oprea1_478075;SCHEMBL2904306;HMS520C19;DTXSID90286376;DKNOPZCYIDBMNY-UHFFFAOYSA-N;5-Benzyl-2,5-diaza-cycloheptanone;NSC-45105;AKOS001031295;CS-W005996;FS-1760;SB12507;1-Benzylhexahydro-1H-1,4-diazepin-5-one;AM20060944;FT-0601721;1-Benzylhexahydro-(5H)-1,4-diazepine-5-one;EN300-24044;SR-01000392432;J-504245;SR-01000392432-1

Suppliers and Price of 1-Benzyl-1,4-diazepan-5-one

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

AHH
1-Benzyl-1,4-diazepan-5-one 98%
10g
$ 240.00

AK Scientific
1-Benzyl-1,4-diazepan-5-one
25g
$ 671.00

AK Scientific
1-Benzyl-1,4-diazepan-5-one
5g
$ 182.00

Alichem
1-Benzyl-1,4-diazepan-5-one
10g
$ 167.66

Alichem
1-Benzyl-1,4-diazepan-5-one
25g
$ 355.35

Ambeed
1-Benzyl-1,4-diazepan-5-one 98%
25g
$ 494.00

Ambeed
1-Benzyl-1,4-diazepan-5-one 98%
10g
$ 200.00

Ambeed
1-Benzyl-1,4-diazepan-5-one 98%
5g
$ 106.00

Ambeed
1-Benzyl-1,4-diazepan-5-one 98%
1g
$ 30.00

Ambeed
1-Benzyl-1,4-diazepan-5-one 98%
250mg
$ 19.00

Total 47 raw suppliers

Chemical Property of 1-Benzyl-1,4-diazepan-5-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:115-117°
Boiling Point:379.817°C at 760 mmHg
PKA:16.00±0.20(Predicted)
Flash Point:183.507°C
PSA：32.34000
Density:1.098g/cm³
LogP:1.27520
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:204.126263138
Heavy Atom Count:15
Complexity:212

Purity/Quality:

99%, ^*data from raw suppliers

1-Benzyl-1,4-diazepan-5-one 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCNC1=O)CC2=CC=CC=C2
Uses 1-Benzyl-1,4-diazepan-5-one is a diazepane intermediate that can be used as an inhibitor of human nitric oxide synthesis.

Technology Process of 1-Benzyl-1,4-diazepan-5-one

There total 3 articles about 1-Benzyl-1,4-diazepan-5-one 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: 85.0%

: 949-69-9
N-benzyl-4-(N-hydroxyimino)piperidine

: 55186-89-5
1-benzyl-1,4-diazepan-5-one

Guidance literature:: With 2-chloro-1,3-dimethylimidazolinium chloride; triethylamine; In water; acetonitrile; at 20 ℃; for 16h;
DOI:10.1021/jo990211q

Reference yield: 47.0%

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

: 55186-89-5
1-benzyl-1,4-diazepan-5-one

Guidance literature:: 1-phenylmethyl-4-piperidone; With sodium azide; sulfuric acid; acetic acid; at 0 - 5 ℃; for 27h;

With sodium hydroxide; In water;