1-Isopropyl-1,4-diazepane

Base Information

• Chemical Name: 1-Isopropyl-1,4-diazepane
• CAS No.: 59039-61-1
• Molecular Formula: C8H18N2
• Molecular Weight: 142.244
• Hs Code.: 2933990090
• European Community (EC) Number: 674-769-1
• DSSTox Substance ID: DTXSID60481770
• Wikidata: Q82317383
• Mol file: 59039-61-1.mol

Synonyms:59039-61-1;1-isopropyl-1,4-diazepane;1-Isopropyl-[1,4]diazepane;1-Isopropyl-homopiperazine;1-(propan-2-yl)-1,4-diazepane;1-propan-2-yl-1,4-diazepane;MFCD08437494;4-isopropyl-1,4-diazepane;SCHEMBL63693;DTXSID60481770;XEGFJPJTBTYPNB-UHFFFAOYSA-N;AKOS000143719;AT23966;MB06129;SY065017;EN300-65941;A832127;Z239604566

Chemical Property of 1-Isopropyl-1,4-diazepane

Chemical Property:

• Vapor Pressure: 0.581mmHg at 25°C
• Refractive Index: 1.449
• Boiling Point: 76-78°C/11mm
• PKA: 10.61±0.20(Predicted)
• Flash Point: 60.7°C
• PSA: 15.27000
• Density: 0.87g/cm³
• LogP: 0.95680
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.146998583
• Heavy Atom Count: 10
• Complexity: 91.3

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-(propan-2-yl)-1,4-diazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1CCCNCC1

Technology Process of 1-Isopropyl-1,4-diazepane

There total 6 articles about 1-Isopropyl-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: 100.0%

Benzyl 4-propan-2-yl-1,4-diazepane-1-carboxylate (1035271-68-1) → 1-isopropyl-1,4-diazepane (59039-61-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 18h;

Reference yield: 100.0%

→ 1-isopropyl-1,4-diazepane (59039-61-1)

Guidance literature:

Reference yield:

tert-butyl 4-isopropyl-1,4-diazepane-1-carboxylate (851048-46-9) → 1-isopropyl-1,4-diazepane (59039-61-1)

Guidance literature:

tert-butyl 4-isopropyl-1,4-diazepane-1-carboxylate; With trifluoroacetic acid; In dichloromethane; for 16h;

With potassium carbonate; In dichloromethane; water;

upstream raw materials:

tert-butyl 4-isopropyl-1,4-diazepane-1-carboxylate

Benzyl 4-propan-2-yl-1,4-diazepane-1-carboxylate

1-isopropyl-hexahydro-1H-1,4-diazepine dihydrochloride

tert-butyl 1,4-diazepine-1-carboxylate

Downstream raw materials:

(2-benzyl-1,2,3,4-tetrahydro-isoquinolin-6-yl)-(4-isopropyl-[1,4]diazepan-1-yl)-methanone

bis(4-isopropyl-1-homopiperazinylthiocarbonyl)disulfide

N-(1-(cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

Refernces

• 1、 -. "AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS". Page/Page column 63-64. . Retrieved 2010/01/29.
• 2、 -. "TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR". . . Retrieved 2008/12/08.