1,7-Dioxa-4,10-diazacyclododecane

Base Information

• Chemical Name: 1,7-Dioxa-4,10-diazacyclododecane
• CAS No.: 294-92-8
• Molecular Formula: C8H18 N2 O2
• Molecular Weight: 174.243
• Hs Code.: 2934999090
• European Community (EC) Number: 206-034-4
• DSSTox Substance ID: DTXSID20183622
• Nikkaji Number: J193.702B
• Wikidata: Q83054441
• Mol file: 294-92-8.mol

Synonyms:1,7-dioxa-4,10-diazacyclododecane

Chemical Property of 1,7-Dioxa-4,10-diazacyclododecane

Chemical Property:

• Vapor Pressure: 0.0017mmHg at 25°C
• Melting Point: 86 °C
• Refractive Index: 1.4540 (estimate)
• Boiling Point: 293.7°Cat760mmHg
• PKA: 9.09±0.20(Predicted)
• Flash Point: 115.3°C
• PSA: 42.52000
• Density: 0.931g/cm³
• LogP: -0.13000
• Storage Temp.: 0-6°C
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 174.136827821
• Heavy Atom Count: 12
• Complexity: 81.1

Purity/Quality:

97% ^*data from raw suppliers

4,10-Diaza-12-crown 4-Ether ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COCCNCCOCCN1
• Uses: 1,7-Diaza-12-crown-4 can be used to prepare:A ligand named N,N′-bis[(6-carboxy-2-pyridyl)methyl]-1,7-diaza-12-crown-4, which is used to synthesize lanthanide metal complexes applicable as MRI contrast agents.A novel chiral receptor that can be used in the separation of enantiomers using capillary electrophoresis.A fluorescent anthracene based diazacrown ether, which can be used as a photoinduced electron transfer (PET) fluorescent sensor for guest cations.

Technology Process of 1,7-Dioxa-4,10-diazacyclododecane

There total 7 articles about 1,7-Dioxa-4,10-diazacyclododecane 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%

4,10-bis(p-tolylsulphonyl)-1,7-dioxa-4,10-diazacyclododecane (52601-77-1) → diaza[12]crown-4 (294-92-8)

Guidance literature:

With hydrogen bromide; phenol; at 80 ℃; for 60h;

Reference yield: 100.0%

4-[(4-methylphenyl)sulfonyl]-1,7-dioxa-4,10-diazacyclododecane (96563-15-4) → diaza[12]crown-4 (294-92-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 48h; Heating;

DOI:10.1002/1099-0690(200006)2000:11<2041::AID-EJOC2041>3.0.CO;2-G

Reference yield: 93.0%

5,9-dioxo-1,7-dioxa-4,10-diaza-cyclododecane (31249-98-6) → diaza[12]crown-4 (294-92-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 72h; Heating;

DOI:10.1021/ja00271a031

upstream raw materials:

4,10-bis(p-tolylsulphonyl)-1,7-dioxa-4,10-diazacyclododecane

5,9-dioxo-1,7-dioxa-4,10-diaza-cyclododecane

4-[(4-methylphenyl)sulfonyl]-1,7-dioxa-4,10-diazacyclododecane

N,N-bis<2-<2-<(p-tolylsulfonyl)oxy>ethoxy>ethyl>-p-toluenesulfonamide

Downstream raw materials:

N,N'-dibenzyl-1,7-dioxa-4,10-diaazacyclododecane

4,10-Diphenethyl-1,7-dioxa-4,10-diaza-cyclododecane

3,10-dihydroxy-5-benzyl-12,17-dioxa-1,5,9-triazabicyclo<7.5.5>nonadecane

2-(10-acetyl-1,7-dioxa-4,10-diazacyclododecan-4-yl)-N-cyclohexylacetamide