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MALONIC ACID DI-N-BUTYL ESTER is a chemical compound with the molecular formula C12H22O4, primarily known for its role as an intermediate in the production of various chemical products. It is a versatile compound due to its ester and carboxyl functional groups, which enable it to participate in a wide range of chemical reactions. Its structure features two butyl groups attached to a malonic acid core. However, it is essential to handle MALONIC ACID DI-N-BUTYL ESTER with care, as consistent exposure can lead to eye, skin, and respiratory tract irritation.

1190-39-2

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1190-39-2 Usage

Uses

Used in Pharmaceutical Industry:
MALONIC ACID DI-N-BUTYL ESTER is used as an intermediate for the synthesis of various pharmaceuticals. Its presence in organic synthesis allows for the creation of a range of medicinal compounds, contributing to the development of new drugs and treatments.
Used in Agricultural Chemical Industry:
MALONIC ACID DI-N-BUTYL ESTER is used as an intermediate in the production of agricultural chemicals. Its role in the synthesis of these chemicals helps in the development of effective products for crop protection and other agricultural applications.
Used in Organic Synthesis:
MALONIC ACID DI-N-BUTYL ESTER is used as a reagent in organic synthesis. Its ester and carboxyl functional groups make it a valuable component in the preparation of a variety of chemical compounds, expanding its utility across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 1190-39-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,9 and 0 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1190-39:
(6*1)+(5*1)+(4*9)+(3*0)+(2*3)+(1*9)=62
62 % 10 = 2
So 1190-39-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H20O4/c1-3-5-7-14-10(12)9-11(13)15-8-6-4-2/h3-9H2,1-2H3

1190-39-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Dibutyl Malonate

1.2 Other means of identification

Product number -
Other names Malonic Acid Dibutyl Ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1190-39-2 SDS

1190-39-2Relevant academic research and scientific papers

One-pot synthesis of 5-alkylthio-3H-1,2-dithiole-3-thiones

Aimar, Mario L.,Rossi, Rita H.

, p. 2137 - 2140 (1996)

Dialkyl malonate esters reacted with P2S5/S8 in boiling xylene and with 2-mercaptobenzothiazole/ZnO as catalyst to yield 5-alkylthio-3H-1,2-dithiole-3-thiones as major products.

Vapor pressures and enthalpies of vaporization of a series of the symmetric linear n -alkyl esters of dicarboxylic acids

Lipp, Svetlana V.,Krasnykh, Eugenii L.,Verevkin, Sergey P.

body text, p. 800 - 810 (2011/11/05)

Vapor pressures and the molar enthalpies of vaporization of the linear aliphatic alkyl esters of dicarboxylic acids R-CO2-(CH 2)n-CO2-R with n = (0 to 4) with R = C 2H5, n-C3H7, and n-C 4H9 have been determined using the transpiration method. A linear correlation of enthalpies of vaporization (at T = 298.15 K) of the esters with the number n and with Kovat's indices has been found, proving the internal consistency of measured data.

Efficient synthesis of dissymmetric malonic acid S, O -esters via monoalcoholysis of symmetric dithiomalonates under neutral conditions

Matsuo, Kazumasa,Shindo, Mitsuru

supporting information; experimental part, p. 4406 - 4409 (2011/10/08)

A novel method for the highly selective synthesis of dissymmetric S,O-malonates starting from symmetric diphenyl dithiomalonates under neutral conditions is described. The key step is the thermal formation of an acylketene, the stability of which would co

Synthesis of caffeic acid esters

Xia, Chun-Nian,Hu, Wei-Xiao

, p. 332 - 334 (2007/10/03)

A new method for the preparation of caffeic acid esters was investigated. Ten caffeic acid esters were prepared by condensation of protocatechualdehyde with malonic acid mono-esters in moderate yield. Malonic acid mono-esters were prepared from the corresponding malonate di-esters. The conformations of compounds are trans (E) form.

Borontrifluoride etherate promoted one-pot conversion of nitriles to esters

Jayachitra,Yasmeen,Srinivasa Rao,Ralte, Samuel L.,Srinivasan,Singh

, p. 3461 - 3466 (2007/10/03)

One-pot borontrifluoride etherate promoted transformation of nitriles to esters was achieved by heating in corresponding alcohol as a reactant and solvent.

One-Pot synthesis of 5-Alkylthio-3H-1,2-dithiole-3-thiones: Advantages and scopes

Aimar,De Rossi

, p. 1749 - 1755 (2007/10/03)

The reaction of dialkyl malonate esters with P2S5/S8 in boiling xylene in the presence of 2-mercaptobenzothiazole/ZnO as catalyst produces 5-alkylthio-3H-1,2-dithiole-3-thiones as major identifiable product. Moderate yields were obtained with malonate esters of primary alcohols. The reaction fails with malonate esters of secondary alcohols. Regarding the substituent in position two, dialkyl malonates with groups such as CH3, Ph, CH2Ph, OCH3 and Cl afford the corresponding 4-substituted derivatives whereas with Br and NO2 do not give the expected products. Some mechanistic evidences are described.

L-O-(2-malonyl)tyrosine (L-OMT) a new phosphotyrosyl mimic suitably protected for solidphase synthesis of signal transduction inhibitory peptides

Ye, Bin

, p. 4733 - 4736 (2007/10/02)

A new phosphotyrosyl (pTyr) mimic L-O-(2-malonyl)tyrosine (L-OMT, 4) utilizes a malonyl structure in place of the parent phosphate group. This compound is stable to protein-tyrosine phosphatases and has advantages over phosphonate-based pTyr mimics in that protection of the malonyl group as its diester allows passage of the OMT across cell membranes, with subsequent esterase-mediated liberation of the free diacid once inside cells. Herein is reported the synthesis of Nα-Fmoc-L-OMT-O,O-(ferf-butyl)2 (5) for the solid-phase synthesis of L-OMT containing peptides as modulators of cellular signal transduction. Additionally included is the preparation of Nα-Fmoc-L-OMT-O,O-(n-butyl)2 (6) for the direct solid-phase synthesis of OMT-peptide diester prodrugs for use in cell-based studies.

CHEMISTRY OF NITRO ESTERS XVII. METHOD FOR THE PRODUCTION OF MESOXALIC ESTERS

Kochergin, P. M.,Titkova, R. M.

, p. 1042 - 1044 (2007/10/02)

A new preparative method was developed for the production of mesoxalic esters from bromomalonic esters and silver nitrate

A CONVENIENT METHOD FOR ENZYMATIC BENZYL-ALKYL TRANSESTERIFICATION UNDER MILD NEUTRAL CONDITIONS

Gutman, Arie L.,Shkolnik, Eleonora,Shapira, Michal

, p. 8775 - 8780 (2007/10/02)

Lipases from Candida cylindracea and from Pseudomonas fluorescens efficiently catalyse the benzyl to alkyl transesterification in organic solvents under mild conditions in nearly quantitative yields.

SELECTIVE MONOETHERIFICATION AND MONOESTERIFICATION OF DIOLS AND DIACIDS UNDER PHASE-TRANSFER CONDITIONS

Zerda, Jaime de la,Barak, Gabriela,Sasson, Yoel

, p. 1533 - 1536 (2007/10/02)

Research on the selectivity of etherification reactions of diols and esterification reactions of diacids by alkyl halides under phase-transfer catalysis has shown that under such conditions, selectivity of monoetherification increases in the order prim sec tert diols, though overall yield of monoether decreases from sec to tert diols.Monoesterification of diacids was accomplished with a high degree of selectivity.Optimal extraction of diols and diacids was found to correspond in general to chain lengths of around 5 carbons.This could mean that the complex formed between the catalyst and the anion to react is stabilized for certain carbon lengths by inner solvation in virtue of its spatial conformation.

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