4-Hydroxy-1-(3-pyridyl)-1-pentanone

Base Information

• Chemical Name: 4-Hydroxy-1-(3-pyridyl)-1-pentanone
• CAS No.: 142930-52-7
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.2157
• DSSTox Substance ID: DTXSID70931690
• Nikkaji Number: J525.558I
• Mol file: 142930-52-7.mol

Synonyms:4-Hydroxy-1-(3-pyridyl)-1-pentanone;142930-52-7;CCRIS 7105;DTXSID70931690;4-HYDROXY-1-(PYRIDIN-3-YL)PENTAN-1-ONE

Chemical Property of 4-Hydroxy-1-(3-pyridyl)-1-pentanone

Chemical Property:

• Vapor Pressure: 2.09E-05mmHg at 25°C
• Boiling Point: 347.1°Cat760mmHg
• Flash Point: 163.7°C
• Density: 1.109g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)C1=CN=CC=C1)O

Technology Process of 4-Hydroxy-1-(3-pyridyl)-1-pentanone

There total 2 articles about 4-Hydroxy-1-(3-pyridyl)-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:

3-pyridinecarboxylic acid ethyl ester (614-18-6) → (R,S)-4-hydroxy-1-(3-pyridinyl)-1-pentanone (142930-52-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe / propan-2-ol / 1 h / Heating

2: 3 N H₂SO₄ / Heating

With sulfuric acid; sodium methylate; In isopropyl alcohol;

Reference yield:

4-Hydroxy-2-(pyridine-3-carbonyl)-pentanoic acid → (R,S)-4-hydroxy-1-(3-pyridinyl)-1-pentanone (142930-52-7)

Guidance literature:

With sulfuric acid; Yield given; Heating;

Reference yield:

(R,S)-4-hydroxy-1-(3-pyridinyl)-1-pentanone (142930-52-7) → Ro 24-0238 (120555-31-9)

Guidance literature:

Multi-step reaction with 8 steps

1: NH₂NH₂*H₂O / bis-(2-hydroxy-ethyl) ether / 1.5 h / 140 - 150 °C

2: KOH / bis-(2-hydroxy-ethyl) ether / 3 h / 140 - 150 °C

3: 84 percent / 3 h / 40 - 50 °C

5: K₂CO₃ / methanol

6: 201.7 g / Et₃N / CH₂Cl₂ / 0.5 h / 0 °C

7: NaN₃ / dimethylformamide / 2.5 h / 70 °C

8: 537 mg / n-Bu₃P / cyclohexane / 20 h / Heating

With potassium hydroxide; sodium azide; tributylphosphine; potassium carbonate; hydrazine hydrate; triethylamine; In methanol; dichloromethane; cyclohexane; N,N-dimethyl-formamide; diethylene glycol;

upstream raw materials:

3-pyridinecarboxylic acid ethyl ester

Downstream raw materials:

(R)-α-methyl-3-pyridinebutanamine

Ro 24-0238

alpha-methyl-3-pyridinebutanol