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4-(1-ADAMANTYL)PHENOL, also known as 1-(4-hydroxyphenyl)adamantane, is an organic compound characterized by its adamantane group attached to a phenol molecule. It is a white crystalline substance with unique chemical and physical properties, making it a versatile compound for various applications.

29799-07-3

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29799-07-3 Usage

Uses

Used in Pharmaceutical Industry:
4-(1-ADAMANTYL)PHENOL is used as a research compound for the development of inhibitors targeting oral bacteria. Its chemical structure allows it to interact with specific bacterial enzymes or receptors, potentially leading to the inhibition of bacterial growth and the prevention of oral diseases such as gingivitis and periodontitis.
Used in Chemical Research:
As a white crystalline substance, 4-(1-ADAMANTYL)PHENOL can be utilized in various chemical research applications, including the synthesis of new compounds, the study of its chemical properties, and the exploration of its potential as a building block for more complex molecules.
Used in Material Science:
Due to its unique adamantane group and phenol structure, 4-(1-ADAMANTYL)PHENOL may have potential applications in material science, where it could be used to develop new materials with specific properties, such as improved thermal stability, chemical resistance, or mechanical strength.

Check Digit Verification of cas no

The CAS Registry Mumber 29799-07-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,9,7,9 and 9 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 29799-07:
(7*2)+(6*9)+(5*7)+(4*9)+(3*9)+(2*0)+(1*7)=173
173 % 10 = 3
So 29799-07-3 is a valid CAS Registry Number.
InChI:InChI=1/C16H20O/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,17H,5-10H2

29799-07-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(1-ADAMANTYL)PHENOL

1.2 Other means of identification

Product number -
Other names 4-adamantan-1-ylphenol

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:29799-07-3 SDS

29799-07-3Relevant academic research and scientific papers

Thermal Stability Study of 4-(1-Adamantyl)phenol

Nesterova, T. N.,Sarkisova, V. S.,Shakun, V. A.,Tarazanov, S. V.

, p. 1300 - 1308 (2020)

Abstract: The thermal stability of 4-(1-adamantyl)phenol has been studied in the temperature range of 703–753 K, the components of the thermolysis reaction mixture have been identified, and the rate constants and parameters of the Arrhenius equation for t

Radical Carbonyl Propargylation by Dual Catalysis

Huang, Huan-Ming,Bellotti, Peter,Daniliuc, Constantin G.,Glorius, Frank

supporting information, p. 2464 - 2471 (2020/12/07)

Carbonyl propargylation has been established as a valuable tool in the realm of carbon–carbon bond forming reactions. The 1,3-enyne moiety has been recognized as an alternative pronucleophile in the above transformation through an ionic mechanism. Herein, we report for the first time, the radical carbonyl propargylation through dual chromium/photoredox catalysis. A library of valuable homopropargylic alcohols bearing all-carbon quaternary centers could be obtained by a catalytic radical three-component coupling of 1,3-enynes, aldehydes and suitable radical precursors (41 examples). This redox-neutral multi-component reaction occurs under very mild conditions and shows high functional group tolerance. Remarkably, bench-stable, non-toxic, and inexpensive CrCl3 could be employed as a chromium source. Preliminary mechanistic investigations suggest a radical-polar crossover mechanism, which offers a complementary and novel approach towards the preparation of valuable synthetic architectures from simple chemicals.

LIGHT EMITTING DIODE AND DISPLAY DEVICE INCLUDING THE SAME

-

Paragraph 0151; 0152; 0153, (2021/07/30)

A light emitting diode of an embodiment includes a first electrode, a hole transport region disposed on the first electrode, an emission layer disposed on the hole transport region, an electron transport region disposed on the emission layer, and a second

Synthesis, biological evaluation and molecular docking studies of indeno [1, 2-c] pyrazol derivatives as inhibitors of mitochondrial malate dehydrogenase 2 (MDH2)

Ahmadi, Farzaneh,Engel, Matthias,Baradarani, Mehdi M.

, (2021/03/15)

Hypoxia inducible factor-1 (HIF-1) is a pivotal transcription factor, which is strongly correlated with the induction of angiogenesis, tumor survival, metastasis, and cell proliferation, making it a pivotal therapeutic target for solid tumor therapeutic agents. Herein, a new series of multi-functional chemical probes were designed including principal groups, viz. adamantyl and indene, at various locations of the parent compound LW6. Molecular docking studies were performed on the designed compounds and their relationship with HIF-1α and malate dehydrogenase 2 (MDH2). Inhibition of MDH2 by our compounds was expected to decrease the NADH level. Indeed, treatment of the breast cancer cell line 4T1 led to a strong reduction of the NADH concentration. The greatest reduction in NADH production in mitochondria was observed with (E)-3-(4-((3r, 5r, 7r)-adamantan-1-yl) phenoxy)-N-(5-(piperidine-1-carbonyl)-1, 4-dihydroindeno [1, 2-c] pyrazol-3-yl) acrylamide (18: IC50 = 59 nM), and has the best inhibitory potential under hypoxic conditions (MCF-7: IC50 = 57 nM). This compound also gave one of the highest docking “higher than the score obtained with LW6 in parallel (?31.63 kcal/mol) in the initial docking runs (PDB Code: 4WLO). Other related compounds with good yields were also synthesized from docking results, and all the synthesized compounds (14, 18, 22, 26, 29, 30) were evaluated in vitro on human adenocarcinoma cell lines.

Three-Component, Interrupted Radical Heck/Allylic Substitution Cascade Involving Unactivated Alkyl Bromides

Bellotti, Peter,Glorius, Frank,Heidrich, Bastian,Huang, Huan-Ming,Pflüger, Philipp M.,Schwarz, J. Luca

supporting information, p. 10173 - 10183 (2020/06/27)

Developing efficient and selective strategies to approach complex architectures containing (multi)stereogenic centers has been a long-standing synthetic challenge in both academia and industry. Catalytic cascade reactions represent a powerful means of rapidly leveraging molecular complexity from simple feedstocks. Unfortunately, carrying out cascade Heck-type reactions involving unactivated (tertiary) alkyl halides remains an unmet challenge owing to unavoidable β-hydride elimination. Herein, we show that a modular, practical, and general palladium-catalyzed, radical three-component coupling can indeed overcome the aforementioned limitations through an interrupted Heck/allylic substitution sequence mediated by visible light. Selective 1,4-difunctionalization of unactivated 1,3-dienes, such as butadiene, has been achieved by employing different commercially available nitrogen-, oxygen-, sulfur-, or carbon-based nucleophiles and unactivated alkyl bromides (>130 examples, mostly >95:5 E/Z, >20:1 rr). Sequential C(sp3)-C(sp3) and C-X (N, O, S) bonds have been constructed efficiently with a broad scope and high functional group tolerance. The flexibility and versatility of the strategy have been illustrated in a gram-scale reaction and streamlined syntheses of complex ether, sulfone, and tertiary amine products, some of which would be difficult to access via currently established methods.

NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE

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Paragraph 0158-0162, (2020/11/11)

Novel compounds and organic light emitting devices are disclosed. The novel compound is represented by the following Chemical Formula 1, and when the novel compound is used as a material for a hole transport layer of an organic light emitting device, the

Chiral Bis(oxazoline) Ligands as C2-Symmetric Chiral Auxiliaries for the Synthesis of Enantiomerically Pure Bis-Cyclometalated Rhodium(III) Complexes

Grell, Yvonne,Demirel, Nemrud,Harms, Klaus,Meggers, Eric

supporting information, p. 3852 - 3859 (2019/11/13)

The synthesis of enantiomerically pure bis-cyclometalated rhodium(III) complexes using chiral bis(oxazoline) ligands as C2-symmetric chiral auxiliaries is described. Bis(oxazolines) are versatile chiral ligands for asymmetric catalysis but have

ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME

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Paragraph 0077; 0078, (2019/02/01)

The present invention relates to an adamantane derivative compound and an organic light-emitting diode (OLED) including the same, and more particularly, to an adamantane derivative compound capable of being used in an OLED and an OLED having excellent pro

4-(1-Adamantyl)phenylalkylamines with potential antiproliferative activity

Koperniku, Ana,Foscolos, Angeliki-Sofia,Papanastasiou, Ioannis,Foscolos, George B.,Tsotinis, Andrew,Schols, Dominique

, p. 171 - 176 (2016/03/01)

Background: In our previous publications we have described the synthesis of aminosubstituded diaryl adamantanes and their pharmacological evaluation in vitro and in vivo against many cancer cell lines. More recently, we have reported the synthesis of mono

Phenoxyacrylic derivatives and use thereof

-

, (2016/10/10)

The present invention relates to a phenoxyacrylic derivative and a pharmaceutical composition comprising the same as an active ingredient for preventing or treating a nonalcoholic fatty liver disease. The compound according to the present invention has an

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