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Isobutyloxirane, also known as 2-methyl-2,3-epoxybutane, is a colorless liquid chemical compound with the formula C5H10O and a slightly fruity odor. It is recognized for its use as a solvent and as a precursor in the synthesis of various other chemicals, including pharmaceuticals, pesticides, and other organic compounds. Due to its hazardous nature, isobutyloxirane requires careful handling and appropriate safety measures.

23850-78-4

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23850-78-4 Usage

Uses

Used in Chemical Synthesis:
Isobutyloxirane is used as a precursor in the chemical synthesis process for the production of a variety of organic compounds. Its reactivity and functional group make it a valuable intermediate in the creation of new chemical entities.
Used in Pharmaceutical Production:
In the pharmaceutical industry, isobutyloxirane is utilized as a building block for the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with specific therapeutic properties.
Used in Pesticide Formulation:
Isobutyloxirane is employed in the formulation of pesticides, where it serves as a key component in the creation of effective and targeted pest control agents. Its chemical properties contribute to the stability and performance of these products.
Used as a Solvent:
Isobutyloxirane is used as a solvent in various industrial applications due to its ability to dissolve a wide range of substances. Its solvent properties are beneficial in processes that require the dissolution of specific compounds for further reactions or applications.
Safety Precautions:
Given its classification as a hazardous chemical, isobutyloxirane necessitates adherence to proper safety protocols during its handling, storage, and use. This includes the use of personal protective equipment, containment measures, and adherence to regulatory guidelines to minimize risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 23850-78-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,3,8,5 and 0 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 23850-78:
(7*2)+(6*3)+(5*8)+(4*5)+(3*0)+(2*7)+(1*8)=114
114 % 10 = 4
So 23850-78-4 is a valid CAS Registry Number.
InChI:InChI=1/C6H12O/c1-5(2)3-6-4-7-6/h5-6H,3-4H2,1-2H3

23850-78-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2-methylpropyl)oxirane

1.2 Other means of identification

Product number -
Other names 4-Methyl-1,2-epoxypentane

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:23850-78-4 SDS

23850-78-4Relevant academic research and scientific papers

Primary Alcohols via Nickel Pentacarboxycyclopentadienyl Diamide Catalyzed Hydrosilylation of Terminal Epoxides

Lambert, Tristan H.,Steiniger, Keri A.

supporting information, p. 8013 - 8017 (2021/10/25)

The efficient and regioselective hydrosilylation of epoxides co-catalyzed by a pentacarboxycyclopentadienyl (PCCP) diamide nickel complex and Lewis acid is reported. This method allows for the reductive opening of terminal, monosubstituted epoxides to form unbranched, primary alcohols. A range of substrates including both terminal and nonterminal epoxides are shown to work, and a mechanistic rationale is provided. This work represents the first use of a PCCP derivative as a ligand for transition-metal catalysis.

Intermolecular sp3-C-H Amination for the Synthesis of Saturated Azacycles

Betz, Kerry N.,Chiappini, Nicholas D.,Du Bois

supporting information, p. 1687 - 1691 (2020/01/09)

The preparation of substituted azetidines and larger ring, nitrogen-containing saturated heterocycles is enabled through efficient and selective intermolecular sp3-C-H amination of alkyl bromide derivatives. A range of substrates are demonstrated to undergo C-H amination and subsequent sulfamate alkylation in good to excellent yield. N-Phenoxysulfonyl-protected products can be unmasked under neutral or mild basic conditions to yield the corresponding cyclic secondary amines. The preparative convenience of this protocol is demonstrated through gram-scale and telescoped multistep procedures. Application of this technology is highlighted in a nine-step total synthesis of an unusual azetidine-containing natural product, penaresidin B.

Vinylidene Homologation of Boronic Esters and its Application to the Synthesis of the Proposed Structure of Machillene

Fordham, James M.,Grayson, Matthew N.,Aggarwal, Varinder K.

supporting information, p. 15268 - 15272 (2019/10/21)

Alkenyl boronic esters are important reagents in organic synthesis. Herein, we report that these valuable products can be accessed by the homologation of boronic esters with lithiated epoxysilanes. Aliphatic and electron-rich aromatic boronic esters provided vinylidene boronic esters in moderate to high yields, while electron-deficient aromatic and vinyl boronic esters were found to give the corresponding vinyl silane products. Through DFT calculations, this divergence in mechanistic pathway has been rationalized by considering the stabilization of negative charge in the C?Si and C?B bond breaking transition states. This vinylidene homologation was used in a short six-step stereoselective synthesis of the proposed structure of machillene, however, synthetic and reported data were found to be inconsistent.

Efficient and convenient epoxidation of alkenes to epoxides with H2O2 catalyzed by Co(OAc)2 in ionic liquid [C12py][PF6]

Hu, Yu-Lin,Liu, Yi-Wen,Li, De-Jiang

, p. 2179 - 2184 (2015/10/19)

A simple, efficient, and eco-friendly procedure for the epoxidation of alkenes to epoxides with H2O2 catalyzed by Co(OAc)2 in ionic liquid [C12py][PF6] has been developed. The reactions were carried out with alkene, Co(OAc)2 (0.1 mmol), [C12py][PF6] (10 mL), and H2O2 (30 %, 11 mmol) at room temperature for 2-6 h. This atom-economical protocol affords the target products in good to high yields (88-98 %). The products can be separated by a simple extraction with organic solvent, and the catalytic system can be recycled and reused without loss of catalytic activity. Graphical abstract: A simple, efficient, and eco-friendly procedure for the epoxidation of alkenes to epoxides with H2O2 catalyzed by Co(OAc)2 in ionic liquid [C12py][PF6] has been developed.[Figure not available: see fulltext.]

Regioselectivity and diasteroselectivity in Pt(II)-mediated "green" catalytic epoxidation of terminal alkenes with hydrogen peroxide: Mechanistic insight into a peculiar substrate selectivity

Colladon, Marco,Scarso, Alessandro,Sgarbossa, Paolo,Michelin, Rino A.,Strukul, Giorgio

, p. 7680 - 7689 (2008/02/05)

Recently developed electron-poor Pt(II) catalyst 1 with the "green" oxidant 35% hydrogen peroxide displays high activity and complete substrate selectivity in the epoxidation of terminal alkenes because of stringent steric and electronic requirements. In the presence of isolated dienes bearing terminal and internal double bonds, epoxidation is completely regioselective toward the production of terminal epoxides. Insight into the mechanism is gained by means of a reaction progress kinetic analysis approach that underlines the peculiar role of 1 in activating both the alkene and H 2O2 in the rate-determining step providing a rare example of nucleophilic oxidation of alkenes by H2O2.

Synthesis and Insecticidal Activity of Oxazaphospholidines, Oxathiaphospholanes, and Thiazaphospholidines

Wu, Shao-Yong,Hirashima, Akinori,Takeya, Ryuko,Eto, Morifusa

, p. 2911 - 2918 (2007/10/02)

Fifty-five new five-membered cyclic organophosphorus compounds including oazaphospholidines, thiazaphospholidines, and oxathiaphospholanes were synthesized, which have substituents at 4- or/and 5-positions besides at the 2-position.The thiazaphospholidines showed the highest insecticidal activity followed by oxathiaphospholanes and oxazaphospholidines.The position preference of substituents in insecticidal activity was most obvious in the oxazaphospholidines.It was preferable for insecticidal activity to have the substituent near the more basic atom: the 4-position for thiazaphospholidine and oxazaphospholidine, the 5-position for oxathiaphospholane, with the exception of 4- or 5-phenyl oxazaphospholidine.

Dissociations of Positively Charged Aliphatic Epoxides. I. Structure Elucidation of the η-Cleavage Products

Bouchoux, Guy,Hoppilliard, Yannik,Jaudon, Pascale

, p. 98 - 102 (2007/10/02)

Dissociative ionization of 1,2-epoxy n-alkanes gives rise to abundant + ions of structure +.This conclusions is drawn from metastable ion analysis and from collosional activation spectra.This fragmentation involves the C-C ring opening and a 1,4-H migration leading to the corresponding enol ether +. precursor of + fragment.The same isomerization scheme applies to 1,2-epoxy methyl substituted alkanes and 2,3-epoxy n-alkanes.

THE SYNTHETIC UTILITY OF DIOXYPHOSPHORANES IN ORGANIC SYNTHESIS

Robinson, Philip L.,Kelly, Jeffery W.,Evans, Slayton A.

, p. 15 - 24 (2007/10/02)

Diethoxytriphenylphosphorane, DTPP, prepared by reaction of triphenylphosphine and diethyl peroxide, is a "hydrolytically active" dioxyphosphorane which promotes mild and efficient cyclodehydration of diols to cyclic ethers in neutral media.Simple 1,2-, 1,4-, and 1,5-diols afford good yields of the cyclic ethers but 1,3-propanediol and 1,6-hexanediol give mainly 3-ethoxy-1-propanol and 6-ethoxy-1-hexanol, respectively, with DTPP.Tri- and tetra-substituted 1,2-diols afford the relatively stable 1,3,2-dioxaphospholanes in the presence of DTPP and the reaction conditions dictate whether epoxides, ketones, or allylic alcohols are obtained.

Diethoxytriphenylphosphorane: A Mild, Regioselective Cyclodehydrating Reagent for Conversion of Diols to Cyclic Ethers. Stereochemistry, Synthetic Utility, and Scope

Robinson, Philip L.,Barry, Carey N.,Kelly, Jeffery W.,Evans, Slayton A.

, p. 5210 - 5219 (2007/10/02)

Diethoxytriphenylphosphorane, Ph3P(OEt)2, prepared by reaction of triphenylphosphine and diethyl peroxide, is a "hydrolytically active" dioxyphosphorane which promotes mild cyclodehydration (40-110 deg C) of diols to cyclic ethers in neutral media.The regioselectivity in the closure of (S)-(+)-propane-1,2-diol and (R)-(-)-pentane-1,4-diol with Ph3P(OEt)2 is high (81-82 percent) while the cyclodehydration of (S)-(+)-phenylethane-1,2-diol gives racemized (+/-)-styrene oxide.Simple 1,2-, 1,4-, and 1,5-diols afford good yields of the cyclic ethers but 1,3-propanediol and 1,6-hexanediol give mainly 3-ethoxy-1-propanol and 6-ethoxy-1-hexanol, respectively with Ph3P(OEt)2.Tri- and tetra-substituted 1,2-diols afford the relatively stable 1,3,2-dioxaphospholanes (or ?-dioxyphosphoranes) in the presence of Ph3P(OEt)2, and, depending on conditions, the 1,3,2-dioxaphospholanes are selectively converted to epoxides, ketones or allylic alcohols.The carbonyl compounds arise from 1,2-hydride and 1,2-methyl migrations; the allylic alcohols are derived from thermolytic eliminations. trans-1,2-Cyclohexanediols afford essentially quantitative yields (>95 percent) of the cyclohexene oxides while cis-1,2-cyclohexanediol gives the stable 1,3,2-dioxaphospholane with Ph3P(OEt)2 which decomposes under thermal conditions to cyclohexanone (90 percent).Ph3P(OEt)2 is extremely useful for conversion of "sensitive" 1,2-diols to acidic and /or thermally labile epoxides as demonstrated by the quantitative conversion of 9,10-dihydro-trans-9,10-phenanthrenediol to 9,10-dihydrophenanthrene oxide and 2α,10-pinanediol to 2α,10-epoxypinane.

Cyclodehydration and Chlorination of Simple Diols with Triphenylphosphine and tert-Butyl Hypochlorite

Barry, Carey N.,Evans, Slayton A.

, p. 2825 - 2828 (2007/10/02)

The reagent triphenylphosphine-tert-butyl hypochlorite converts 1,4-diols into the corresponding tetrahydrofurans and 1,2-diols into a mixture of the regioisomeric chlorohydrins and the epoxides at -78 deg C followed by warming to ambient temperature (ca. 30 deg C).Symmetrical diols give largely chlorohydrins and dichlorides.

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