Pivalate

Base Information

• Chemical Name: Pivalate
• CAS No.: 29650-96-2
• Molecular Formula: C₅H₉O₂
• Molecular Weight: 101.125
• DSSTox Substance ID: DTXSID201317238
• Nikkaji Number: J886.768B
• Wikidata: Q27132899

Synonyms:Pivalate;2,2-dimethylpropanoate;neopentanoate;trimethylacetate;Pivalate anion;Pivalic acid anion;2,2-dimethylpropionate;alpha,alpha-dimethylpropanoate;alpha,alpha-dimethylpropionate;1,1-dimethylethyl carboxylate;CHEBI:63894;IUGYQRQAERSCNH-UHFFFAOYSA-M;DTXSID201317238;Q27132899;29650-96-2

Chemical Property of Pivalate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 101.060254526
• Heavy Atom Count: 7
• Complexity: 73.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)[O-]

Technology Process of Pivalate

There total 17 articles about Pivalate 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:

C12H14N2O4 (149540-92-1) → pivaloate (29650-96-2) + 4-nitrobenzonitrile (619-72-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 25 ℃; Rate constant; Mechanism; Thermodynamic data;

DOI:10.1021/jo9618637

Reference yield:

O-trimethylacetyl 4-nitrobenzaldoxime → pivaloate (29650-96-2) + 4-nitrobenzonitrile (619-72-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 25 ℃; Rate constant; Mechanism; Thermodynamic data;

DOI:10.1021/jo9618637

Reference yield:

pivalamidine hydrochloride (18202-73-8) → 2,2-dimethylpropionamide (754-10-9) + pivaloate (29650-96-2)

Guidance literature:

In aq. phosphate buffer; at 70 - 200 ℃; pH=7; Kinetics; Inert atmosphere;

DOI:10.1021/ja411927k

upstream raw materials:

2,2-dimethyl-propanoic acid ethyl ester

methanolate

(E)-benzaldehyde O-pivaloyloxime

C₁₂H₁₄BrNO₂

Downstream raw materials:

substituted benzenethiol

Pivalinsaeure-methoxymethylester

2,2-dimethyl-propanoic acid ethyl ester

C₃H₉BP^(1-)

Refernces

Synthesis and structural characterization of di-μ-phenoxo-bridged dinuclear iron(III) complexes with ferromagnetic or weak antiferromagnetic coupling

10.1246/bcsj.74.1425

The research focused on the synthesis and structural characterization of di-μ-phenoxo-bridged dinuclear iron(III) complexes with either ferromagnetic or weak antiferromagnetic coupling. The purpose of the study was to understand the magneto-structural relationships in iron systems, which are relevant to biological iron-containing proteins. The researchers synthesized a series of complexes using N-salicylidene-2-hydroxy-5-bromobenzylamine (H2La), N-salicylidene-2-hydroxy-5-chlorobenzylamine (H2Lb), and N-salicylidene-2-hydroxybenzylamine (H2Lc) as tridentate Schiff-base ligands, along with various exogenous ligands such as acetate, benzoate, pivalate, diphenyl phosphate, and acetylacetonate.

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