dopamine 3-O-sulfate

Base Information

• Chemical Name: dopamine 3-O-sulfate
• CAS No.: 51317-41-0
• Molecular Formula: C8H11 N O5 S
• Molecular Weight: 233.245
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID40199321
• Nikkaji Number: J532.218I
• Wikidata: Q27104429
• Metabolomics Workbench ID: 38848
• Mol file: 51317-41-0.mol

Synonyms:dopamine 3-O-sulfate

Chemical Property of dopamine 3-O-sulfate

Chemical Property:

• Melting Point: 268-270 °C
• Boiling Point: °Cat760mmHg
• PKA: -4.49±0.18(Predicted)
• Flash Point: °C
• PSA: 118.23000
• Density: 1.55g/cm³
• LogP: 1.85610
• XLogP3: -3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 233.03579362
• Heavy Atom Count: 15
• Complexity: 286

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Dopamine3-O-Sulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCN)OS(=O)(=O)O)O

Technology Process of dopamine 3-O-sulfate

There total 14 articles about dopamine 3-O-sulfate 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:

C23H22NO7S(1-)*Na(1+) → Dopamine 3-O-sulfate (51317-41-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 0.5h; under 2280.2 - 3037.7 Torr; Yield given;

Reference yield:

N-benzyloxycarbonyl-3,4-dihydroxyphenylethylamine (37034-22-3) → Dopamine 3-O-sulfate (51317-41-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 13 percent / NaHCO₃ / ethanol / 16 h / Heating

2: 1.) NaH, 2.) Me₃N*SO₃ / DMF, 1.) 30 min, room temp., 2.) 30 min

3: H₂ / 10 percent Pd/C / ethanol / 0.5 h / 2280.2 - 3037.7 Torr

With hydrogen; sulfur trioxide trimethylamine complex; sodium hydride; sodium hydrogencarbonate; palladium on activated charcoal; In ethanol;

Reference yield:

[2-(4-Benzyloxy-3-sulfooxy-phenyl)-ethyl]-carbamic acid benzyl ester → Dopamine 3-O-sulfate (51317-41-0)

Guidance literature:

With ammonium formate; acetic acid; palladium on activated charcoal; In methanol; for 1h;

DOI:10.1248/cpb.39.2994

upstream raw materials:

3-Sulfoxy-4-benzyloxy-phenethylamin

dopamine hydrochloride

dopamine

N-benzyloxycarbonyl-3,4-dihydroxyphenylethylamine