pentan-3-yl propanoate

Base Information

• Chemical Name: pentan-3-yl propanoate
• CAS No.: 5468-56-4
• Molecular Formula: C8H16O2
• Molecular Weight: 144.2114
• Mol file: 5468-56-4.mol

Synonyms:

Chemical Property of pentan-3-yl propanoate

Chemical Property:

• Vapor Pressure: 2.91mmHg at 25°C
• Boiling Point: 156.3°Cat760mmHg
• Flash Point: 46.7°C
• Density: 0.876g/cm³

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of pentan-3-yl propanoate

There total 2 articles about pentan-3-yl propanoate 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: 47.0%

2-pentanol (584-02-1) + propionyl chloride (79-03-8) → sec-Amyl propionate (5468-56-4)

Guidance literature:

With pyridine; In dichloromethane; a.) 0 deg C to 25 deg C, 0.5h, b.) 2h, 25 deg C;

DOI:10.1007/BF00960333

Reference yield:

ethene (74-85-1) + 2-pentanol (584-02-1) + carbon monoxide (201230-82-2) → sec-Amyl propionate (5468-56-4)

Guidance literature:

With bis(acetylacetonato)palladium(II); 1,1’-ferrocenediyl-bis(tert-butyl(pyridin-2-yl)phosphine); toluene-4-sulfonic acid; at 80 ℃; for 20h; Autoclave; Inert atmosphere;

DOI:10.1002/anie.201700317

Reference yield:

sec-Amyl propionate (5468-56-4) → 1-ethylpropyl (2SR,3RS)-3-hydroxy-2-methylpentanoate (114607-20-4,114715-56-9,122798-52-1,122798-53-2,122798-54-3,124753-52-2,129314-00-7,129314-02-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1. i-Pr₂NH, BuLi, HMFA / 1. THF, hexane, 2. -78 deg C, 2h

2: TiCl₄ / CH₂Cl₂ / 3 h / 25 °C

With n-butyllithium; titanium tetrachloride; diisopropylamine; In dichloromethane;

DOI:10.1007/BF00960333

upstream raw materials:

2-pentanol

propionyl chloride

ethene

carbon monoxide

Downstream raw materials:

2-Methyl-3-hydroxypentanoic acid threo-3-pentyl ester

1-ethylpropyl (2SR,3RS)-3-hydroxy-2-methylpentanoate

Refernces

• 1、 Cheskis, B. A.,Moiseenkov, A. M.,Shpiro, N. A.,Stashina, G. A.,Zhulin, V. M.. "STEREOCHEMICALLY CONTROLLED SYNTHESIS OF RACEMIC SITOPHILATE, THE AGGREGATIONAL PHEROMONE OF THE GRAIN WEEVIL". . p. 716 - 720. Retrieved 2007/10/02.