1-Pyridin-3-yl-1,4-diazepane

Base Information

Chemical Name:1-Pyridin-3-yl-1,4-diazepane
CAS No.:223796-20-1
Molecular Formula:C10H15 N3
Molecular Weight:177.249
Hs Code.:2933990090
DSSTox Substance ID:DTXSID70443006
Nikkaji Number:J1.371.877F
Wikidata:Q27449937
ChEMBL ID:CHEMBL71085
Mol file:223796-20-1.mol

Synonyms:1-pyridin-3-yl-1,4-diazepane;223796-20-1;1-(Pyridin-3-Yl)-1,4-Diazepane;CHEMBL71085;Hexahydro-1-(3-pyridinyl)-1H-1,4-diazepine;1-(3-Pyridyl)homopiperazine;NS 3531;1-(3-Pyridyl)-1,4-diazepane;1H-1,4-Diazepine, hexahydro-1-(3-pyridinyl)-;1-(3-pyridyl)-homopiperazine;SCHEMBL3061045;DTXSID70443006;JBOVXXZNZSULJJ-UHFFFAOYSA-N;1-Pyridin-3-yl-[1,4]diazepane;CS-D1573;BDBM50088438;MFCD06409205;AKOS010813954;SB53932;AS-59349;1-(3-Pyridyl)hexahydro-1H-1,4-diazepine;NS3531, 1;FT-0648494;EN300-3070201;J-505113;Q27449937

Suppliers and Price of 1-Pyridin-3-yl-1,4-diazepane

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-PYRIDIN-3-YL-1,4-DIAZEPANE 95.00%
5MG
$ 502.52

Ambeed
1-(Pyridin-3-yl)-1,4-diazepane 97%
250mg
$ 152.00

Ambeed
1-(Pyridin-3-yl)-1,4-diazepane 97%
100mg
$ 77.00

Alichem
1-Pyridin-3-yl-1,4-diazepane
1g
$ 404.10

Alichem
1-Pyridin-3-yl-1,4-diazepane
250mg
$ 161.70

AK Scientific
1-Pyridin-3-yl-1,4-diazepane
250mg
$ 427.00

Total 19 raw suppliers

Chemical Property of 1-Pyridin-3-yl-1,4-diazepane

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.535
Boiling Point:324.5°Cat760mmHg
PKA:10.24±0.20(Predicted)
Flash Point:150°C
PSA：28.16000
Density:1.05g/cm³
LogP:1.27510
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:177.126597491
Heavy Atom Count:13
Complexity:149

Purity/Quality:

98%min ^*data from raw suppliers

1-PYRIDIN-3-YL-1,4-DIAZEPANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNCCN(C1)C2=CN=CC=C2

Technology Process of 1-Pyridin-3-yl-1,4-diazepane

There total 4 articles about 1-Pyridin-3-yl-1,4-diazepane 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%

: 223797-48-6
1-(pyridin-3-yl)-4-tert-butoxycarbonylhomopiperazine

: 223796-20-1
1-(pyridin-3-yl)-homopiperazine

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 6h;
DOI:10.1021/jm990973d

Reference yield:

: 626-55-1,163928-56-1
3-Bromopyridine

: 223796-20-1
1-(pyridin-3-yl)-homopiperazine

Guidance literature:: Multi-step reaction with 2 steps

1: 13 percent / tetrakis(triphenylphosphine)palladium⁽⁰⁾; potassium tert-butoxide / toluene / 4 h / 80 °C

2: 85 percent / trifluoroacetic acid / CH₂Cl₂ / 6 h

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium tert-butylate; trifluoroacetic acid; In dichloromethane; toluene; 1: Substitution / 2: deacylation;
DOI:10.1021/jm990973d

Reference yield:

: 112275-50-0
tert-butyl 1,4-diazepine-1-carboxylate

: 223796-20-1
1-(pyridin-3-yl)-homopiperazine

Guidance literature:: Multi-step reaction with 2 steps

1: 13 percent / tetrakis(triphenylphosphine)palladium⁽⁰⁾; potassium tert-butoxide / toluene / 4 h / 80 °C

2: 85 percent / trifluoroacetic acid / CH₂Cl₂ / 6 h

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium tert-butylate; trifluoroacetic acid; In dichloromethane; toluene; 1: Substitution / 2: deacylation;
DOI:10.1021/jm990973d