5,6-Diethoxy-2-((dimethylamino)methyl)-2,3-dihydro-1H-inden-1-one hydrochloride

Base Information

• Chemical Name: 5,6-Diethoxy-2-((dimethylamino)methyl)-2,3-dihydro-1H-inden-1-one hydrochloride
• CAS No.: 137376-71-7
• Molecular Formula: C₁₆H₂₃NO₃*ClH
• Molecular Weight: 313.824
• DSSTox Substance ID: DTXSID80929780
• Mol file: 137376-71-7.mol

Synonyms:137376-71-7;5,6-Diethoxy-2-((dimethylamino)methyl)-2,3-dihydro-1H-inden-1-one hydrochloride;1H-Inden-1-one, 2,3-dihydro-5,6-diethoxy-2-((dimethylamino)methyl)-, hydrochloride;2-[(dimethylamino)methyl]-5,6-diethoxy-2,3-dihydroinden-1-one;hydrochloride;5,6-DIETHOXY-2-((DIMETHYLAMINO)METHYL)-2,3-DIHYDRO-1H-INDEN-1-ONE HYDR OCHLORIDE;DTXSID80929780;AXYNONIJPOHFIM-UHFFFAOYSA-N;LS-81818;2-[(Dimethylamino)methyl]-5,6-diethoxy-2,3-dihydro-1H-inden-1-one--hydrogen chloride (1/1)

Chemical Property of 5,6-Diethoxy-2-((dimethylamino)methyl)-2,3-dihydro-1H-inden-1-one hydrochloride

Chemical Property:

• Vapor Pressure: 8.53E-07mmHg at 25°C
• Boiling Point: 405.8°Cat760mmHg
• Flash Point: 199.2°C
• PSA: 38.77000
• Density: g/cm³
• LogP: 3.20260
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 313.1444713
• Heavy Atom Count: 21
• Complexity: 332

Purity/Quality:

5,6-DIETHOXY-2-((DIMETHYLAMINO)METHYL)-2,3-DIHYDRO-1H-INDEN-1-ONE HYDR OCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C2C(=C1)CC(C2=O)CN(C)C)OCC.Cl

Technology Process of 5,6-Diethoxy-2-((dimethylamino)methyl)-2,3-dihydro-1H-inden-1-one hydrochloride

There total 4 articles about 5,6-Diethoxy-2-((dimethylamino)methyl)-2,3-dihydro-1H-inden-1-one hydrochloride 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: 60.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + 5,6-Diethoxy-1-indanone (137013-02-6) → 2-Dimethylaminomethyl-5,6-diethoxy-indan-1-one; hydrochloride (137376-71-7)

Guidance literature:

With hydrogenchloride; In ethanol; for 8h; Heating;

DOI:10.1007/BF00777420

Reference yield:

3,4-diethoxybenzaldehyde (2029-94-9) → 2-Dimethylaminomethyl-5,6-diethoxy-indan-1-one; hydrochloride (137376-71-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 88 percent / pyridine, piperidine / 6 h / 110 °C

2: 95 percent / H₂, Raney nickel, 15percent aq. KOH / 3 h / 60 °C / 68400.1 Torr

3: 70 percent / polyphosphoric acid / 0.33 h / 110 °C

4: 60 percent / conc. HCl / ethanol / 8 h / Heating

With piperidine; pyridine; hydrogenchloride; potassium hydroxide; PPA; hydrogen; nickel; In ethanol;

DOI:10.1007/BF00777420

Reference yield:

3,4-diethoxycinnamic acid (137013-00-4) → 2-Dimethylaminomethyl-5,6-diethoxy-indan-1-one; hydrochloride (137376-71-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / H₂, Raney nickel, 15percent aq. KOH / 3 h / 60 °C / 68400.1 Torr

2: 70 percent / polyphosphoric acid / 0.33 h / 110 °C

3: 60 percent / conc. HCl / ethanol / 8 h / Heating

With hydrogenchloride; potassium hydroxide; PPA; hydrogen; nickel; In ethanol;

DOI:10.1007/BF00777420

upstream raw materials:

formaldehyd

N,N-dimethylammonium chloride

5,6-Diethoxy-1-indanone

3,4-diethoxybenzaldehyde

Refernces