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1,3-Dioxane, 5,5-dimethyl-2-(4-nitrophenyl)-, also known as 4-Nitrophenyl 5,5-dimethyl-1,3-dioxane-2-carboxylate, is a chemical compound with the molecular formula C11H11NO5. It is a derivative of 1,3-dioxane, featuring a 4-nitrophenyl group attached to the 2-position and a dimethyl group at the 5,5-position. 1,3-Dioxane, 5,5-dimethyl-2-(4-nitrophenyl)- is often used as a reagent in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. It is characterized by its pale yellow crystalline appearance and is sensitive to light, which necessitates storage in a dark environment to prevent degradation. The compound's properties, such as its melting point and solubility, can be crucial for its application in chemical reactions and its handling in a laboratory setting.

838-42-6

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838-42-6 Usage

Common uses

Organic synthesis, pharmaceutical manufacturing It is often utilized as a reagent in the synthesis of organic compounds and in the production of pharmaceuticals.

Physical properties

Colorless liquid, sweet and pleasant odor The compound appears as a colorless liquid with a sweet and pleasant smell.

Flammability

Highly flammable The compound can easily catch fire and burn, posing a potential fire hazard.

Health hazards

Harmful if swallowed, inhaled, or absorbed through the skin Ingesting, inhaling, or coming into contact with the skin can cause adverse health effects.

Irritation

Can cause eye and skin irritation The compound may lead to discomfort or damage to the eyes and skin upon contact.

Environmental concerns

Potential bioaccumulation in aquatic organisms The compound may build up in water-dwelling organisms, posing a risk to the environment.

Handling precautions

Should be handled with care Due to its potential health and environmental risks, proper safety measures should be taken when working with 1,3-Dioxane, 5,5-dimethyl-2-(4-nitrophenyl)-.

Check Digit Verification of cas no

The CAS Registry Mumber 838-42-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,3 and 8 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 838-42:
(5*8)+(4*3)+(3*8)+(2*4)+(1*2)=86
86 % 10 = 6
So 838-42-6 is a valid CAS Registry Number.

838-42-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (4'-nitrophenyl)-2,2-dimethyl-1,3-dioxolane

1.2 Other means of identification

Product number -
Other names 5,5-dimethyl-2-(4-nitrophenyl)-[1,3]dioxane

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:838-42-6 SDS

838-42-6Relevant academic research and scientific papers

Four acid-catalysed dehydration reactions proceed without interference

Lirag, Rio Carlo,Miljani?, Ognjen ?.

supporting information, p. 9401 - 9404 (2014/08/05)

Four acid-catalysed dehydration reactions can proceed in one pot, simultaneously and without interference, to yield one imine, one acetal (or boronic ester), one ester and one alkene, even though many other cross-products could be conceived. This advanced

A charge-stabilizing, multimodular, ferrocene-bis(triphenylamine)-zinc- porphyrin-fullerene polyad

Wijesinghe, Channa A.,El-Khouly, Mohamed E.,Zandler, Melvin E.,Fukuzumi, Shunichi,D'Souza, Francis

, p. 9629 - 9638 (2013/07/26)

A novel multimodular donor-acceptor polyad featuring zinc porphyrin, fullerene, ferrocene, and triphenylamine entities was designed, synthesized, and studied as a charge-stabilizing, photosynthetic-antenna/reaction-center mimic. The ferrocene and fullerene entities, covalently linked to the porphyrin ring, were distantly separated to accomplish the charge-separation/hole-migration events leading to the creation of a long-lived charge-separated state. The geometry and electronic structures of the newly synthesized compound was deduced by B3LYP/3-21G(*) optimization, while the energy levels for different photochemical events was established using data from the optical absorption and emission, and electrochemical studies. Excitation of the triphenylamine entities revealed singlet-singlet energy transfer to the appended zinc porphyrin. As predicted from the energy levels, photoinduced electron transfer from both the singlet and triplet excited states of the zinc porphyrin to fullerene followed by subsequent hole migration involving ferrocene was witnessed from the transient absorption studies. The charge-separated state persisted for about 8.5 μs and was governed by the distance between the final charge-transfer product, that is, a species involving a ferrocenium cation and a fullerene radical anion, with additional influence from the charge-stabilizing triphenylamine entities located on the zinc-porphyrin macrocycle. Step-by-step events: Occurrence of sequential energy and electron transfer leading to the generation of a long-lived charge-separated state is demonstrated in a novel multimodular donor-acceptor supramolecular system comprised of different photo and redox entities as a photosynthetic-antenna/reaction-center mimic (see figure; EnT=energy transfer, CS=charge separation, HS=hole shift, CR=charge recombination). Copyright

Synthesis of novel solid acidic ionic liquid polymer and its catalytic activities

Liang, Xuezheng

, p. 724 - 729 (2014/01/23)

The novel solid acidic ionic liquid polymer has been synthesized through the copolymerization of acidic ionic liquid oligomers and resorcinol- formaldehyde (RF resin). The catalytic activities were investigated through the acetalization. The results showed that the PIL was very efficient for the reactions with the average yield over 99.0%. The procedure was quite simple with just one-step to complete both the reactions. The high hydrophobic BET surface, high catalytic activities and high stability gave the PIL great potential for green chemical processes. Pleiades Publishing, Ltd., 2013.

Indium(III) triflate catalysed transacetalisation reactions of diols and triols under solvent-free conditions

Smith, Brendan M.,Kubczyk, Tomasz M.,Graham, Andrew E.

experimental part, p. 7775 - 7781 (2012/09/21)

Acyclic acetals and ketals undergo transacetalisation in the presence of catalytic quantities of indium(III) triflate (In(OTf)3) and diols or triols under solvent-free conditions to generate the corresponding cyclic acetals and ketals in excellent yield. The methodology has been further developed to encompass a tandem acetalisation-acetal exchange protocol, which provides a facile and high yielding route to cyclic ketals from unreactive ketones under very mild reaction conditions.

Efficient and chemoselective acetalization and thioacetalization of carbonyls and subsequent deprotection using InF3 as a reusable catalyst

Madabhushi, Sridhar,Mallu, Kishore Kumar Reddy,Chinthala, Narsaiah,Beeram, China Ramanaiah,Vangipuram, Venkata Sairam

experimental part, p. 697 - 701 (2012/02/15)

An efficient and chemoselective method for preparation of acetals and dithioacetals of aldehydes and their deprotection under catalysis of InF 3 is described.

Utilization of photoinduced charge-separated state of donor-acceptor-linked molecules for regulation of cell membrane potential and ion transport

Numata, Tomohiro,Murakami, Tatsuya,Kawashima, Fumiaki,Morone, Nobuhiro,Heuser, John E.,Takano, Yuta,Ohkubo, Kei,Fukuzumi, Shunichi,Mori, Yasuo,Imahori, Hiroshi

scheme or table, p. 6092 - 6095 (2012/05/07)

The control of ion transport across cell membranes by light is an attractive strategy that allows targeted, fast control of precisely defined events in the biological membrane. Here we report a novel general strategy for the control of membrane potential

Indium triflate mediated tandem acetalisation-acetal exchange reactions under solvent-free conditions

Smith, Brendan M.,Graham, Andrew E.

experimental part, p. 6281 - 6283 (2011/12/14)

Acyclic acetals and ketals undergo exchange reactions in the presence of catalytic quantities of indium(III) triflate and diols to generate the corresponding cyclic acetals and ketals in excellent yield. The protocol is rapid, employs mild conditions and can be adapted to employ solvent-free reaction conditions. We have further developed this methodology to encompass a tandem acetalisation-acetal exchange protocol which provides facile access to cyclic ketals from unreactive ketones also under very mild, solvent-free reaction conditions.

Synthesis of a novel ionic liquid with both Lewis and Br?nsted acid sites and its catalytic activities

Liang, Xuezheng,Qi, Chenze

experimental part, p. 808 - 812 (2012/01/04)

The novel ionic liquid with both Lewis and Br?nsted acid sites has been synthesized and its catalytic activities for acetalization and Michael addition were investigated carefully. The novel ionic liquid was stable to water and could be used in aqueous solution. Furthermore, the molar ratio of the Lewis and Br?nsted acid sites could be adjusted according to different reactions. The results showed that the novel ionic liquid was very efficient for the traditional acid-catalyzed reactions with good to excellent yields in short time.

Chemoselective and chemospecific protection and deprotection of a carbonyl group using polystyrene divinylbenzene sulfonic acid

Verma, Sanjeev K.,Sathe, Manisha,Kaushik

experimental part, p. 1701 - 1707 (2010/07/15)

Chemospecific protection of one carbonyl group of two identical carbonyls of 2,2-dialkyl-1,3-cyclohexanedione and chemoselective protection of aliphatic or aromatic carbonyls in the presence of conjugated carbonyl compounds using cross-linked polystyrene divinyl benzene sulfonic acid (SPS) as a heterogeneous catalyst has been demonstrated. Copyright

Preparation of the central tryptophan moiety of the celogentin/moroidin family of anti-mitotic cyclic peptides

Yuen, Alexander K. L.,Jolliffe, Katrina A.,Hutton, Craig A.

, p. 819 - 826 (2007/10/03)

The central functionalized tryptophan core of the celogentin/moroidin family of cyclic peptides has been prepared. The strategy incorporates a novel preparation of 4-iodobenzaldehyde and employs a Larock annulation as the key step. CSIRO 2006.

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