Halfordinol

Base Information

• Chemical Name: Halfordinol
• CAS No.: 4210-82-6
• Molecular Formula: C14H10N2O2
• Molecular Weight: 238.2414
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70331979
• Nikkaji Number: J13.634D
• Wikidata: Q27106821
• Metabolomics Workbench ID: 69476
• Mol file: 4210-82-6.mol

Synonyms:Halfordinol;4210-82-6;4-(2-pyridin-3-yl-1,3-oxazol-5-yl)phenol;C10596;YTC-F_000321;Phenol, p-[2-(3-pyridyl)-5-oxazolyl]-;Phenol, 4-[2-(3-pyridinyl)-5-oxazolyl]-;AC1L9DIZ;Egelenine;4-[2-(3-Pyridinyl)-5-oxazolyl]phenol;SureCN3194240;CHEBI:5604;SCHEMBL3194240;DTXSID70331979;4-[2-(3-pyridyl)oxazol-5-yl]phenol;YTC_001345;4-[2-(3-Pyridinyl)-1,3-oxazol-5-yl]phenol;4-[2-(3-Pyridinyl)-1,3-oxazol-5-yl]phenol #;Q27106821

Chemical Property of Halfordinol

Chemical Property:

• Vapor Pressure: 3.99E-09mmHg at 25°C
• Boiling Point: 461.2°Cat760mmHg
• Flash Point: 232.7°C
• PSA: 59.15000
• Density: 1.269g/cm³
• LogP: 3.10920
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 238.074227566
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C2=NC=C(O2)C3=CC=C(C=C3)O

Technology Process of Halfordinol

There total 8 articles about Halfordinol 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: 62.0%

3-Aminomethylpyridine (3731-52-0) + 2-bromo-1-(4'-hydroxyphenyl)-1-ethanone (2491-38-5) → halfordinol (4210-82-6)

Guidance literature:

With iodine; potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 4h;

DOI:10.1039/c3ob41566j

Reference yield:

O-methylhalfordinol (33864-03-8) → halfordinol (4210-82-6)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.7b01228

Reference yield:

3-{5-[4-(2,3-dihydroxy-3-methyl-butoxy)-phenyl]-oxazol-2-yl}-1-methyl-pyridinium; chloride (99906-16-8) → halfordinol (4210-82-6)

Guidance literature:

at 190 ℃; for 2h; under 0.2 Torr;

upstream raw materials:

3-[5-(4-benzyloxy-phenyl)-oxazol-2-yl]-pyridine

2-methyl-4-[4-(2-pyridin-3-yl-oxazol-5-yl)-phenoxy]-butane-2,3-diol

3-{5-[4-(2,3-dihydroxy-3-methyl-butoxy)-phenyl]-oxazol-2-yl}-1-methyl-pyridinium; chloride

N-[2-(4-benzyloxy-phenyl)-2-oxo-ethyl]-nicotinamide

Downstream raw materials:

O-methylhalfordinol

1-acetoxy-4-(2-pyridin-3-yl-oxazol-5-yl)-benzene

3-[5-(4-hydroxy-phenyl)-oxazol-2-yl]-1-methyl-pyridinium; iodide

5-[5-(4-methoxy-phenyl)-oxazol-2-yl]-1-methyl-pyridinium; iodide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 4210-82-6 4-[2-(3-Pyridinyl)-5-oxazolyl]phenol

Send

Send

Metric Ton KG G Pound L ML

Send

Send