Qvd35D4RP3

Base Information

• Chemical Name: Qvd35D4RP3
• CAS No.: 67705-42-4
• Molecular Formula: C₉H₁₈N₄
• Molecular Weight: 182.269
• UNII: QVD35D4RP3
• Mol file: 67705-42-4.mol

Synonyms:QVD35D4RP3;UNII-QVD35D4RP3;67705-42-4;1,4,7,10-Tetraazatricyclo(5.5.1.0(4,13))tridecane;Octahydro-5H,9bh-2a,4a,7,9a-tetraazacycloocta(cd)pentalene;5H,9Bh-2a,4a,7,9a-tetraazacycloocta(cd)pentalene, octahydro-;1,4,7,10-Tetraazatricyclo[5.5.1.0{4,13}]tridecane;5H,9bH-2a,4a,7,9a-Tetraazacycloocta[cd]pentalene, octahydro-;OCTAHYDRO-5H,9BH-2A,4A,7,9A-TETRAAZACYCLOOCTA[CD]PENTALENE;SCHEMBL10075325;DZFHEVASOBTMAN-UHFFFAOYSA-N;1,4,7,10-tetraazatricyclo[5.5.1.04,13 ]tridecane

Chemical Property of Qvd35D4RP3

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 182.153146591
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN2CCN3C2N(CCN1)CC3

Technology Process of Qvd35D4RP3

There total 4 articles about Qvd35D4RP3 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%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + 1,4,7,10-tetraazacyclododecan (294-90-6) → 1,4,7,10-tetrazatricyclo[5.5.1.0]tridecane (67705-42-4)

Guidance literature:

In toluene; at 120 ℃;

Reference yield: 96.0%

orthoformic acid triethyl ester (122-51-0) + 1,4,7,10-tetraazacyclododecan (294-90-6) → 1,4,7,10-tetrazatricyclo[5.5.1.0]tridecane (67705-42-4)

Guidance literature:

Trimethylacetic acid; at 130 - 140 ℃; for 5h; Product distribution / selectivity; Light protection; Neat (no solvent); Oxygen-free;

Reference yield:

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + 1,4,7,10-tetraazacyclododecan (294-90-6) → 1,4,7,10-tetrazatricyclo[5.5.1.0]tridecane (67705-42-4)

Guidance literature:

In toluene; at 120 ℃; for 2h;

DOI:10.1039/b100405k

upstream raw materials:

N,N-dimethyl-formamide dimethyl acetal

1,4,7,10-tetraazacyclododecan

orthoformic acid triethyl ester

Refernces

• 1、 Ferrand, Anne-Claire,Imbert, Daniel,Chauvin, Anne-Sophie,Vandevyver, Caroline D. B.,Buenzli, Jean-Claude G.. "Non-cytotoxic, bifunctional EuIII and TbIII luminescent macrocyclic complexes for luminescence resonant energy-transfer experiments". . p. 8678 - 8687. Retrieved 2008/09/16.
• 2、 -. "A PROCESS FOR THE PREPARATION OF MACROCYCLIC CHELANTS AND THE CHELATES THEREOF WITH PARAMAGNETIC METAL IONS". Page/Page column 9. . Retrieved 2010/02/14.