VALERIC ACID

Base Information

• Chemical Name: VALERIC ACID
• CAS No.: 64118-37-2
• Molecular Formula: C5H10O2
• Molecular Weight: 104.117
• Hs Code.: 2915600000
• Mol file: 64118-37-2.mol

Synonyms:Pentanoic-2,2-D2 acid;N-Pentanoic acid;N-Valeric acid;Pentane acid;

Chemical Property of VALERIC ACID

Chemical Property:

• Vapor Pressure: 0.15 mm Hg ( 20 °C)
• Melting Point: -20--18 °C(lit.)
• Refractive Index: n20/D 1.408(lit.)
• Boiling Point: 185.3 °C at 760 mmHg
• Flash Point: 80.5 °C
• PSA: 37.30000
• Density: 0.966 g/cm³
• LogP: 1.26120

Purity/Quality:

99% ^*data from raw suppliers

Pentanoic-2,2-d2Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-52/53
• Safety Statements: 26-36-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Pentanoic-2,2-d2 Acid (CAS# 64118-37-2) is a useful isotopically labeled research compound.

Technology Process of VALERIC ACID

There total 5 articles about VALERIC ACID 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: 49.0%

1-Brom-<1,1-D2>butan (32529-58-1) + carbon dioxide (124-38-9,18923-20-1) → pentanoic-α-d2 acid (64118-37-2)

Guidance literature:

With magnesium;

Reference yield:

p-nitrophenyl pentanoate-α-d2 → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + pentanoic-α-d2 acid (64118-37-2)

Guidance literature:

With alkaline solution; In water; acetonitrile; at 24.9 - 25.1 ℃; Rate constant; carbonate buffer pH 10.70;

DOI:10.1021/ja00250a026

Reference yield:

valeric acid (109-52-4) → pentanoic-α-d2 acid (64118-37-2)

Guidance literature:

With deuteriated sodium hydroxide; In water-d2; at 200 ℃;

DOI:10.1021/ja00258a006

upstream raw materials:

1-Brom-<1,1-D2>butan

carbon dioxide

diethyl propylmalonate

valeric acid

Downstream raw materials:

butanoic acid methyl ester

dimethyl subarate

C₈H₁₄⁽²⁾H₄

hexanedioic acid dimethyl ester

Refernces

• 1、 Matta, Michael S.,Broadway, Dale E.,Stroot, Michele K.. "Parallel Behavior in Kinetic and NMR Effects: Secondary Deuterium Isotope Effects on the Alkaline Hydrolysis of Esters". . p. 4916 - 4918. Retrieved 2007/10/02.
• 2、 Weiske, Thomas,Schwarz, Helmut. "Pseudo One-Step Cleavage of C-C Bonds in the Decomposition of Ionized Carboxyclic Acids. Radical Like Reactions in Mass Spectrometry". . p. 323 - 347. Retrieved 2007/10/02.