Methyl 2-propylpentanoate

Base Information

• Chemical Name: Methyl 2-propylpentanoate
• CAS No.: 22632-59-3
• Molecular Formula: C9H18O2
• Molecular Weight: 158.241
• Hs Code.: 2915900090
• European Community (EC) Number: 607-119-2
• DSSTox Substance ID: DTXSID40334210
• Nikkaji Number: J45.117G
• Wikidata: Q63395638
• ChEMBL ID: CHEMBL186602
• Mol file: 22632-59-3.mol

Synonyms:Methyl 2-propylpentanoate;22632-59-3;Pentanoic acid, 2-propyl-, methyl ester;Methyl valproate;2-Propylvaleric acid methyl ester;Valeric acid, 2-propyl-, methyl ester;Valproic Acid Methyl Ester;2-Propyl-pentanoic acid methyl ester;Valproic acid, Me;Methyl dipropylacetate;Valproic acid, methyl ester;CHEMBL186602;SCHEMBL3918683;DTXSID40334210;XAA63259;AKOS028111533;BS-52741;2-PROPYLPENTANOIC ACID METHYL ESTER;E83234;EN300-7000450;Q63395638;Z1506716396

Chemical Property of Methyl 2-propylpentanoate

Chemical Property:

• Vapor Pressure: 1.09mmHg at 25°C
• Boiling Point: 176.5oC at 760 mmHg
• Flash Point: 59.4oC
• PSA: 26.30000
• Density: 0.874g/cm3
• LogP: 2.37580
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 158.130679813
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

98% ^*data from raw suppliers

ValproicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)OC
• Uses: Valproic Acid Methyl Ester is the methyl ester derivative of Valproic Acid (V094750); one of the major antiepileptic drugs. Also an anticonvulsant that acts as a mood stabilizer for the treatment of bipolar disorder.

Technology Process of Methyl 2-propylpentanoate

There total 12 articles about Methyl 2-propylpentanoate 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: 93.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + valproic acid (99-66-1) → methyl 2-propylvalerate (22632-59-3)

Guidance literature:

In diethyl ether; for 0.5h; Ambient temperature;

DOI:10.1039/a608488e

Reference yield:

methanol (67-56-1) + trans-3-heptene (14686-14-7) + carbon monoxide (201230-82-2) → methyl 2-ethylhexanoate (816-19-3) + methyl 2-propylvalerate (22632-59-3)

Guidance literature:

With bis-(2-methoxy-phenyl)-phenyl-phosphane; acetyl chloride; palladium dichloride; In 1,4-dioxane; at 100 ℃; for 48h; under 30003 Torr; Overall yield = 97 %; Sealed tube;

DOI:10.1016/j.catcom.2017.04.006

Reference yield:

methanol (67-56-1) + valproic acid (99-66-1) → methyl 2-propylvalerate (22632-59-3)

Guidance literature:

DOI:10.1016/j.bmcl.2004.09.013

upstream raw materials:

methanol

valproyl chloride

propene

acetic acid methyl ester

Downstream raw materials:

2-Propyl-1,1-bis-(4-methoxy-phenyl)-penten-⁽¹⁾

2-Propyl-pentyl-acetat

2-Propyl-pentyl-isobutyrat

2-Propyl-pentyl-benzoat