3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine

Base Information

• Chemical Name: 3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine
• CAS No.: 104422-04-0
• Molecular Formula: C19H21 N O2
• Molecular Weight: 295.381
• Hs Code.: 2933990090
• UNII: XA99M7XZR5
• DSSTox Substance ID: DTXSID3043817
• Nikkaji Number: J247.964H
• Wikipedia: SKF-77,434
• Wikidata: Q7390600
• Pharos Ligand ID: W7155XN6Q1PH
• Metabolomics Workbench ID: 63079
• ChEMBL ID: CHEMBL288090
• Mol file: 104422-04-0.mol

Synonyms:3-allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine;SK and F 77434;SKF 77434;SKF-77,434;SKF-77434

Chemical Property of 3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine

Chemical Property:

• Vapor Pressure: 1.8E-09mmHg at 25°C
• Boiling Point: 470.4°Cat760mmHg
• Flash Point: 245.5°C
• PSA: 43.70000
• Density: 1.157g/cm³
• LogP: 4.16980
• Storage Temp.: 2-8°C
• Solubility.: ethanol: 3.2?mg/mL
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 295.157228913
• Heavy Atom Count: 22
• Complexity: 366

Purity/Quality:

98%min ^*data from raw suppliers

SKF77434hydrobromide ≥99%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O
• Uses: N-Allyl-(+/-)-SKF-38393 hydrobromide is a selective dopamine D1-like receptor partial agonist.

Technology Process of 3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine

There total 3 articles about 3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine 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:

7,8-Dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Hydrobromide (20012-10-6) + allyl bromide (106-95-6) → SKF 77434 (104422-04-0)

Guidance literature:

With potassium carbonate; In ethanol; water; Ambient temperature;

DOI:10.1021/jm00116a004

Reference yield:

SKF 38393 (1000004-68-1,62717-42-4) + allyl bromide (106-95-6) → SKF 77434 (104422-04-0)

Guidance literature:

With potassium carbonate; In dichloromethane; water; N,N-dimethyl-formamide; for 16h; Ambient temperature;

DOI:10.1021/jm00384a006

Reference yield:

→ SKF 77434 (104422-04-0)

Guidance literature:

/BRN= 543419/, Allylbromid;

upstream raw materials:

7,8-Dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Hydrobromide

allyl bromide

SKF 38393

Downstream raw materials:

3-allyl-6,9-dichloro-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine