1-Cyclohexyl-1,4-diazepane

Base Information

• Chemical Name: 1-Cyclohexyl-1,4-diazepane
• CAS No.: 59039-67-7
• Molecular Formula: C11H22N2
• Molecular Weight: 182.31
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40481773
• Wikidata: Q82317390
• Mol file: 59039-67-7.mol

Synonyms:1-Cyclohexyl-1,4-diazepane;59039-67-7;1-Cyclohexyl-[1,4]diazepane;MFCD09055248;SCHEMBL6134512;DTXSID40481773;AKOS009222114;1-Cyclohexyl-1,4-diazepane, AldrichCPR;CS-0331688

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

Chemical Property:

• Vapor Pressure: 0.00864mmHg at 25°C
• Boiling Point: 266.4°C at 760 mmHg
• Flash Point: 101.2°C
• PSA: 15.27000
• Density: 0.952g/cm³
• LogP: 1.88110
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 182.178298710
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

1-cyclohexyl-1,4-diazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2CCCNCC2

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

There total 1 articles about 1-Cyclohexyl-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:

→ 1-cyclohexyl-1,4-diazepane (59039-67-7)

Guidance literature:

1-Cyclohexyl-4-benzyl-hexahydro-1,4-diazepin, H2,Pd-C;

Reference yield: 78.0%

2-chloro-N-(1-isopropylpiperidin-4-yl)-6-methoxyl-7-(3-(pyrrolidin-1-yl)propoxyl)quinazolin-4-amine (1350752-07-6) + 1-cyclohexyl-1,4-diazepane (59039-67-7) → 2-(4-cyclohexyl-1,4-diazepan-1-yl)-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine (1320288-52-5)

Guidance literature:

With trifluoroacetic acid; In isopropyl alcohol; at 160 ℃; for 0.25h; Microwave irradiation;

DOI:10.1021/jm200903z

Reference yield:

2-chloro-N-(4-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine (864291-49-6) + 1-cyclohexyl-1,4-diazepane (59039-67-7) → C27H34ClN5O2 (1063232-34-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In butan-1-ol; at 100 ℃; for 18h;

DOI:10.1016/j.bmc.2008.07.062

Downstream raw materials:

C₂₇H₃₄ClN₅O₂

2-(4-cyclohexyl-1,4-diazepan-1-yl)-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine

C₂₈H₃₂N₄O₃S