CID 18531107

Base Information

• Chemical Name: CID 18531107
• CAS No.: 56187-09-8
• Molecular Formula: C12H30N6•3H2O4S
• Molecular Weight: 552.649
• Mol file: 56187-09-8.mol

Synonyms:HUXWLXVRUBWIIX-UHFFFAOYSA-N

Chemical Property of CID 18531107

Chemical Property:

• Vapor Pressure: 2.78E-08mmHg at 25°C
• Boiling Point: 449.8°C at 760 mmHg
• Flash Point: 243.9°C
• PSA: 321.12000
• LogP: 0.79440
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 356.22057470
• Heavy Atom Count: 23
• Complexity: 189

Purity/Quality:

98%,99%, ^*data from raw suppliers

Hexacyclen trisulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 5195914
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CNCCNCCNCCNCCNCCN1.OS(=O)(=O)O
• Uses: Ligand used in the preparation of transition metal complexes and in chromium-initiated radical copolymerization reactions.

Technology Process of CID 18531107

There total 1 articles about CID 18531107 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: 36.0%

1,4,7,10,13,16-hexaazacyclooctadecane (296-35-5) → 1,4,7,10,13,16-hexaazacyclooctadecane sulfuric acid salt (56187-09-8)

Guidance literature:

With sodium hydroxide; sulfuric acid; In water; pH=2;

DOI:10.1039/b409088h

Reference yield: 86.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,4,7,10,13,16-hexaazacyclooctadecane sulfuric acid salt (56187-09-8) → (4,7,10,13,16-Pentakis-phosphonomethyl-1,4,7,10,13,16-hexaaza-cyclooctadec-1-ylmethyl)-phosphonic acid

Guidance literature:

With hydrogenchloride; phosphonic Acid; In water; for 4h; Heating;

DOI:10.1039/a902760b

Reference yield: 70.0%

chromium chloride hexahydrate + 1,4,7,10,13,16-hexaazacyclooctadecane sulfuric acid salt (56187-09-8) + sodium bromide (7647-15-6) → 1,4,7,10,13,16-hexaazacyclooctadecane chromium(III) bromide

Guidance literature:

With sodium hydroxide; In ethanol; dimethyl sulfoxide; ligand salt was dissolved in water, NaOH was added (pH 13), mixt. was extd. with chloroform, Cr salt was dissolved in DMSO at 190°C, cooled, mixed with soln. of ligand in EtOH at 60°C, mixt. was stirredat 170°C for 1 h; ppt. was filtered off, washed with EtOH and ether, dried in air, redissolved in water at 50°C, soln. of NaBr was added, soln. was slowly evapd., ppt. was filtered off, dried under vac.; elem. anal.;

DOI:10.1021/ic010236j

upstream raw materials:

1,4,7,10,13,16-hexaazacyclooctadecane

Downstream raw materials:

1,4,7,10,13,16-hexabenzyl-1,4,7,10,13,16-hexaazacyclooctadecane

1,4,7,10,13,16-hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane

1,4,7,10,13,16-hexaazacyclooctadecane

Refernces