Etofibrate 2-hydroxymethylnicotinate

Base Information

• Chemical Name: Etofibrate 2-hydroxymethylnicotinate
• CAS No.: 3612-80-4
• Molecular Formula: C8H9 N O3
• Molecular Weight: 167.164
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50189697
• Nikkaji Number: J68.306J
• Wikidata: Q83061898
• Mol file: 3612-80-4.mol

Synonyms:EOHMN;etofibrate 2-hydroxymethylnicotinate

Chemical Property of Etofibrate 2-hydroxymethylnicotinate

Chemical Property:

• Vapor Pressure: 0.000417mmHg at 25°C
• Boiling Point: 303.2°Cat760mmHg
• Flash Point: 137.1°C
• PSA: 59.42000
• Density: 1.242g/cm³
• LogP: 0.23070
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)OCCO

Technology Process of Etofibrate 2-hydroxymethylnicotinate

There total 3 articles about Etofibrate 2-hydroxymethylnicotinate 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:

ETOFIBRATE (31637-97-5) → 2-Hydroxyethyl nicotinate (3612-80-4) + Clofibric acid (882-09-7)

Guidance literature:

With hydrogenchloride; water; at 49.8 ℃; Rate constant; Product distribution; rate constant for hydrolysis, temperature and pH dependence;

DOI:10.1002/jps.2600710105

Reference yield:

ETOFIBRATE (31637-97-5) → nicotinic acid (59-67-6) + 2-Hydroxyethyl nicotinate (3612-80-4) + Clofibric acid (882-09-7) + 2-(4-Chlorphenoxy)-2-methylpropionsaeure-2-hydroxyethylester (31637-96-4)

Guidance literature:

With propylene glycol; for 0.116667h; pharmacokinetics on intravenous infusion into dogs; other modes of administration, doses and formulations administered;

DOI:10.1002/jps.2600740314

Reference yield:

C23H29NO5 (1313480-49-7) → nicotinic acid (59-67-6) + 2-Hydroxyethyl nicotinate (3612-80-4) + gemfibrozil (25812-30-0) + 2-hydroxyethyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate (1313404-96-4) + ethylene glycol (107-21-1)

Guidance literature:

With hydrogenchloride; at 37 ℃; pH=7.4; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.ejps.2011.03.012

upstream raw materials:

ETOFIBRATE

C₂₃H₂₉NO₅

Downstream raw materials:

2-Chloroethyl nicotinate

Refernces

• 1、 Qandil, Amjad M.,Rezigue, Meriem M.,Tashtoush, Bassam M.. "Synthesis, characterization and in vitro hydrolysis of a gemfibrozil-nicotinic acid codrug for improvement of lipid profile". experimental part. p. 99 - 108. Retrieved 2012/03/11.