Ibopamine

Base Information

• Chemical Name: Ibopamine
• CAS No.: 66195-31-1
• Molecular Formula: C17H25NO4
• Molecular Weight: 307.39
• Hs Code.: 2922499990
• European Community (EC) Number: 266-229-5
• UNII: 8ZCA2I2L11
• DSSTox Substance ID: DTXSID3023138
• Nikkaji Number: J18.921I
• Wikipedia: Ibopamine
• Wikidata: Q5984366
• NCI Thesaurus Code: C65875
• Metabolomics Workbench ID: 49614
• ChEMBL ID: CHEMBL307739
• Mol file: 66195-31-1.mol

Synonyms:Escandine;ibopamine;ibopamine hydrochloride;Inopamil;N-methyldopamine diisobutyrate;propanoic acid, 2-methyl-, 4-(2-(methylamino)ethyl)-1,2-phenylene ester;SB 7505;SB-7505

Chemical Property of Ibopamine

Chemical Property:

• PSA: 64.63000
• LogP: 2.96220
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 307.17835828
• Heavy Atom Count: 22
• Complexity: 368

Purity/Quality:

98%Min ^*data from raw suppliers

IBOPAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C
• Recent EU Clinical Trials: A Comparison of Postural and Ibopamine Challenges between Progressive and Non-Progressive Glaucoma Patients
• Uses: Dopaminergic agent (peripheral).

Technology Process of Ibopamine

There total 5 articles about Ibopamine 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:

ibopamine hydrochloride → ibopamine (66195-31-1)

Guidance literature:

With sodium carbonate; In water;

Reference yield:

N-benzyloxycarbonylepinine (66195-36-6) → ibopamine (66195-31-1)

Guidance literature:

Multi-step reaction with 2 steps

1: DMAP / pyridine / 4 h / 80 °C

2: H₂ / Pd/C

With dmap; hydrogen; palladium on activated charcoal; In pyridine;

Reference yield:

epinine hydrochloride (62-32-8) → ibopamine (66195-31-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / 2 N NaOH / toluene; H₂O / 2 h / 5 - 10 °C

2: DMAP / pyridine / 4 h / 80 °C

3: H₂ / Pd/C

With dmap; sodium hydroxide; hydrogen; palladium on activated charcoal; In pyridine; water; toluene;

upstream raw materials:

3,4-O-diisobutyryl-N-benzyloxycarbonylepinine

N-benzyloxycarbonylepinine

epinine hydrochloride

Downstream raw materials:

ibopamine maleate

deoxyepinephrine