2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate

Base Information

• Chemical Name: 2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate
• CAS No.: 136051-80-4
• Molecular Formula: C₁₃H₁₄N₂O
• Molecular Weight: 214.267
• DSSTox Substance ID: DTXSID20159640
• Nikkaji Number: J554.410F
• Wikidata: Q83028006
• Pharos Ligand ID: 5ABFPH4LVFHL
• ChEMBL ID: CHEMBL1161715
• Mol file: 136051-80-4.mol

Synonyms:136051-80-4;5,6,7,8-Tetrahydro-9-amino-2-acridinol dihydrate;2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate;9-Amino-7-hydroxy-1,2,3,4-tetrahydroacridine dihydrate;CHEMBL1161715;9-amino-5,6,7,8-tetrahydroacridin-2-ol;C13H14N2O.2H2O;DTXSID20159640;BDBM50422630;C13-H14-N2-O.2H2-O

Chemical Property of 2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate

Chemical Property:

• Vapor Pressure: 1.03E-09mmHg at 25°C
• Boiling Point: 476.8°Cat760mmHg
• Flash Point: 242.1°C
• Density: 1.303g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 214.110613074
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NC3=C(C=C(C=C3)O)C(=C2C1)N

Technology Process of 2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate

There total 6 articles about 2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate 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: 58.0%

7-methoxytacrine (5778-80-3) → 7-Hydroxytacrine (136051-80-4)

Guidance literature:

With pyridine hydrochloride; at 180 ℃; for 4h;

Reference yield:

4-methoxy-aniline (104-94-9) → 7-Hydroxytacrine (136051-80-4)

Guidance literature:

Multi-step reaction with 5 steps

1: p-TsOH*H₂O / toluene / 8 h / Heating

2: diphenyl ether / 0.5 h / Heating

3: 87 percent / POCl₃ / 1 h / Heating

4: 70 percent / NH₃, phenol / 4 h / 180 - 190 °C

5: 58 percent / pyridine hydrochloride / 4 h / 180 °C

With ammonia; pyridine hydrochloride; toluene-4-sulfonic acid; trichlorophosphate; phenol; In diphenylether; toluene;

Reference yield:

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 7-Hydroxytacrine (136051-80-4)

Guidance literature:

Multi-step reaction with 5 steps

1: p-TsOH*H₂O / toluene / 8 h / Heating

2: diphenyl ether / 0.5 h / Heating

3: 87 percent / POCl₃ / 1 h / Heating

4: 70 percent / NH₃, phenol / 4 h / 180 - 190 °C

5: 58 percent / pyridine hydrochloride / 4 h / 180 °C

With ammonia; pyridine hydrochloride; toluene-4-sulfonic acid; trichlorophosphate; phenol; In diphenylether; toluene;

upstream raw materials:

7-methoxytacrine

9-chloro-7-methoxy-1,2,3,4-tetrahydroacridine

4-methoxy-aniline

ethyl 2-oxocyclohexane carboxylate