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4-hydroxy-3-methylbenzonitrile, also known as p-cresol, is a chemical compound that belongs to the phenols and phenolics class. It is a colorless to pale yellow liquid with a characteristic phenolic odor, commonly used as an intermediate in the production of various chemical compounds, including antioxidants, pharmaceuticals, and fragrances. Found in coal tar, tobacco smoke, and as a metabolite of certain bacteria in the human body, p-cresol is considered toxic in large quantities, causing irritation to the skin, eyes, and respiratory tract, and has been linked to potential health hazards such as nephrotoxicity and neurotoxicity.

15777-70-5

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15777-70-5 Usage

Uses

Used in Chemical Production:
4-hydroxy-3-methylbenzonitrile is used as an intermediate in the chemical industry for the production of various compounds, such as antioxidants, pharmaceuticals, and fragrances, due to its versatile chemical properties.
Used in Coal Tar:
4-hydroxy-3-methylbenzonitrile is found as a component in coal tar, which is a byproduct of the coal carbonization process, and is utilized in various industrial applications.
Used in Tobacco Smoke:
4-hydroxy-3-methylbenzonitrile is present in tobacco smoke, contributing to the complex chemical composition of the smoke and its potential health effects.
Used in Metabolism of Certain Bacteria:
4-hydroxy-3-methylbenzonitrile serves as a metabolite of certain bacteria in the human body, playing a role in their metabolic processes and potentially impacting human health.

Check Digit Verification of cas no

The CAS Registry Mumber 15777-70-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,5,7,7 and 7 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 15777-70:
(7*1)+(6*5)+(5*7)+(4*7)+(3*7)+(2*7)+(1*0)=135
135 % 10 = 5
So 15777-70-5 is a valid CAS Registry Number.

15777-70-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-hydroxy-3-methylbenzonitrile

1.2 Other means of identification

Product number -
Other names 5-CYANO-2-HYDROXYTOLUENE

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:15777-70-5 SDS

15777-70-5Relevant academic research and scientific papers

Novel pleconaril derivatives: Influence of substituents in the isoxazole and phenyl rings on the antiviral activity against enteroviruses

Egorova, Anna,Ekins, Sean,Jahn, Birgit,Kazakova, Elena,Makarov, Vadim,Schmidtke, Michaela

, (2019/12/28)

Today, there are no medicines to treat enterovirus and rhinovirus infections. In the present study, a series of novel pleconaril derivatives with substitutions in the isoxazole and phenyl rings was synthesized and evaluated for their antiviral activity against a panel of pleconaril-sensitive and -resistant enteroviruses. Studies of the structure-activity relationship demonstrate the crucial role of the N,N-dimethylcarbamoyl group in the isoxazole ring for antiviral activity against pleconaril-resistant viruses. In addition, one or two substituents in the phenyl ring directly impact on the spectrum of antienteroviral activity. The 3-(3-methyl-4-(3-(3-N,N-dimethylcarbamoyl-isoxazol-5-yl)propoxy)phenyl)-5-trifluoromethyl-1,2,4-oxadiazole 10g was among the compounds exhibiting the strongest activity against pleconaril-resistant as well as pleconaril-susceptible enteroviruses with IC50 values from 0.02 to 5.25 μM in this series. Compound 10g demonstrated markedly less CYP3A4 induction than pleconaril, was non-mutagenic, and was bioavailable after intragastric administration in mice. These results highlight compound 10g as a promising potential candidate as a broad spectrum enterovirus and rhinovirus inhibitor for further preclinical investigations.

3-Aryl-1,2,4-oxadiazole Derivatives Active Against Human Rhinovirus

Kim, Jinwoo,Shin, Jin Soo,Ahn, Sunjoo,Han, Soo Bong,Jung, Young-Sik

, p. 667 - 672 (2018/05/14)

The human rhinovirus (hRV) is the causative agent of the common cold that often aggravates respiratory complications in patients with asthma or chronic obstructive pulmonary disease. The high rate of mutations and variety of serotypes are limiting the development of anti-hRV drugs, which emphasizes the need for the discovery of novel lead compounds. Previously, we identified antiviral compound 1 that we used here as the starting material for developing a novel compound series with high efficacy against hRV-A and -B. Improved metabolic stability was achieved by substituting an ester moiety with a 1,2,4-oxadiazole group. Specifically, compound 3k exhibited a high efficacy against hRV-B14, hRV-A21, and hRV-A71, with EC50 values of 66.0, 22.0, and 3.7 nM, respectively, and a relevant hepatic stability (59.6 and 40.7% compound remaining after 30 min in rat and human liver microsomes, respectively). An in vivo study demonstrated that 3k possessed a desirable pharmacokinetic profile with low systemic clearance (0.158 L·h-1·kg-1) and modest oral bioavailability (27.8%). Hence, 3k appears to be an interesting candidate for the development of antiviral lead compounds.

Visible-Light Photoredox Borylation of Aryl Halides and Subsequent Aerobic Oxidative Hydroxylation

Jiang, Min,Yang, Haijun,Fu, Hua

, p. 5248 - 5251 (2016/11/02)

Efficient and practical visible-light photoredox borylation of aryl halides and subsequent aerobic oxidative hydroxylation were developed. The protocols use readily available aryl halides and bis(pinacolato)diboron as the starting materials, fac-Ir(ppy)3 as the photocatalyst, and corresponding arylboronic esters and phenols were obtained in good yields. The methods show some advantages including simple equipment, mild conditions, easy operation, and wide substrate scope. Therefore, they should provide a valuable strategy for chemical transformations.

ORGANIC COMPOUNDS

-

, (2014/05/24)

Novel benzofuran derivatives are disclosed. The derivatives have S1P1 receptor activity and/or disease modifying activity and find use in the treatment of conditions or diseases associated with the immune, vascular and nervous systems in animals and/or humans

IMIDAZOLIDINEDIONE DERIVATIVES

-

Page/Page column 86, (2011/06/26)

The invention provides a compound of formula (Ia), and pharmaceutically acceptable salts thereof. The invention also provides use of the compounds or salts as modulators of Kv3.1 and/or Kv3.2, and in the treatment of diseases or disorders where a modulator of Kv3.1 and/or Kv3.2 is required, such as depression and mood disorders, hearing disorders, schizopherenea, substance abuse disorders, sleep disorders or epilepsy.

Practical imidazole-based phosphine ligands for selective palladium-catalyzed hydroxylation of aryl halides

Schulz, Thomas,Torborg, Christian,Schaeffner, Benjamin,Huang, Jun,Zapf, Alexander,Kadyrov, Renat,Boerner, Armin,Beller, Matthias

supporting information; experimental part, p. 918 - 921 (2009/05/15)

(Chemical Equation Presented) The phenol countdown: Novel imidazole-based phosphine ligands are synthesized on scales up to 100 g by a convenient lithiation-phosphorylation method. The phosphines are stable towards air and moisture and are successfully applied as ligands in the palladium-catalyzed selective hydroxylation of aryl halides (see scheme, dba=dibenzylideneacetone).

Substituted triazole derivatives as oxytocin antagonists

-

Page/Page column 36, (2008/06/13)

The present invention relates to substituted triazoles of formula (I), uses thereof, processes for the preparation thereof and compositions containing said compounds. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction.

1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO

-

Page/Page column 184, (2010/02/11)

Compounds of Formula (IA), IB), IC), and (ID) wherein R1, R2, R3, R4, R5, and R6 are as respectively defined herein for Formula (IA), (IB), (IC), and (ID), or a tautomer, prodrug, solvate, or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocorticoid receptor function and methods of treating disease-states or conditions mediated by the glucocorticoid receptor function or characterized by inflammatory, allergic, or proliferative processes in a patient using these compounds.

Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof

-

, (2008/06/13)

The present invention relates to a compound with aryl-amidines, particularly amidinoaryl-cyclopropanes, amidinoarylmethyl-pyrroles, amidinoaryl-benzenes, amidinoaryl-pyridines, or amindonoaryl-alanines, represented by formula (1), a pharmaceutically acceptable salt, a prodrug, a hydrate, a solvate or an isomer thereof, which are inhibitors of coagulation enzyme, factor Xa (FXa). The present invention also relates to a pharmaceutical composition containing the compound, and a method of using the same as an anticoagulant agent for treatment and prevention of thrombosis disorders.

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