1-(3-Hydroxy-4-(methylamino)phenyl)-3-methyl-1-pentanone

Base Information

• Chemical Name: 1-(3-Hydroxy-4-(methylamino)phenyl)-3-methyl-1-pentanone
• CAS No.: 135420-19-8
• Molecular Formula: C₁₃H₁₉NO₂
• Molecular Weight: 221.299
• DSSTox Substance ID: DTXSID70928984
• Mol file: 135420-19-8.mol

Synonyms:BRN 4311144;1-(3-Hydroxy-4-(methylamino)phenyl)-3-methyl-1-pentanone;1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-3-methyl-;135420-19-8;1-[3-hydroxy-4-(methylamino)phenyl]-3-methylpentan-1-one;DTXSID70928984;LS-101983

Chemical Property of 1-(3-Hydroxy-4-(methylamino)phenyl)-3-methyl-1-pentanone

Chemical Property:

• Vapor Pressure: 2.55E-06mmHg at 25°C
• Boiling Point: 380.1°Cat760mmHg
• Flash Point: 183.7°C
• Density: 1.078g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CC(=O)C1=CC(=C(C=C1)NC)O

Technology Process of 1-(3-Hydroxy-4-(methylamino)phenyl)-3-methyl-1-pentanone

There total 3 articles about 1-(3-Hydroxy-4-(methylamino)phenyl)-3-methyl-1-pentanone 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: 75.0%

3-Methyl-6-(3-methyl-pentanoyl)-3H-benzooxazol-2-one (958820-56-9) → 1-(3-Hydroxy-4-methylamino-phenyl)-3-methyl-pentan-1-one (135420-19-8)

Guidance literature:

With sodium hydroxide; Heating;

Reference yield:

3-methylbenzo[d]oxazol-2(3H)-one (21892-80-8) → 1-(3-Hydroxy-4-methylamino-phenyl)-3-methyl-pentan-1-one (135420-19-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / polyphosphoric acid / 1.5 h / 100 °C

2: 75 percent / aq. sodium hydroxide / Heating

With sodium hydroxide; PPA;

Reference yield:

3-methylvaleric acid (105-43-1,22160-40-3) → 1-(3-Hydroxy-4-methylamino-phenyl)-3-methyl-pentan-1-one (135420-19-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / polyphosphoric acid / 1.5 h / 100 °C

2: 75 percent / aq. sodium hydroxide / Heating

With sodium hydroxide; PPA;

upstream raw materials:

3-Methyl-6-(3-methyl-pentanoyl)-3H-benzooxazol-2-one

3-methylbenzo[d]oxazol-2(3H)-one

3-methylvaleric acid