Calcobutrol

Base Information

• Chemical Name: Calcobutrol
• CAS No.: 151878-23-8
• Molecular Formula: C₁₈H₃₄N₄O₉*Ca
• Molecular Weight: 490.567
• Mol file: 151878-23-8.mol

Synonyms:1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid, 10-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-, calcium salt (1:1),(R*,S*)-(?à)-; Calcobutrol

Chemical Property of Calcobutrol

Chemical Property:

• Melting Point: >300oC
• Boiling Point: 738.5oC at 760 mmHg
• Flash Point: 400.4oC
• PSA: 191.21000
• LogP: -6.74190
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly)

Purity/Quality:

95% ^*data from raw suppliers

Calcobutrol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Calcobutrol, is a new macrocyclic polyhydroxylated gadolinium chelate derivative which can be used as a contrast agent for Magnetic Resonance Imaging (MRI). Calcobutrol, is a new macrocyclic polyhydroxylated gadolinium chelate derivative which can be used as a contrast agentfor Magnetic Resonance Imaging (MRI).

Technology Process of Calcobutrol

There total 2 articles about Calcobutrol 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: 99.0%

2,2',2''-{10-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetic acid → calcobutrol (151878-23-8)

Guidance literature:

With calcium carbonate; In water; at 20 ℃; for 1h;

Reference yield:

1,4,7,10-tetraazacyclododecan (294-90-6) → calcobutrol (151878-23-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: water / 24 h / 40 - 45 °C

1.2: 2 h / 75 °C

2.1: sodium hydroxide / water / 12 h / 70 °C / pH 9 - 10

3.1: calcium carbonate / water / 1 h / 20 °C

With calcium carbonate; sodium hydroxide; In water;

upstream raw materials:

1,4,7,10-tetraazacyclododecan

Refernces