17672-22-9

Basic information

• Product Name: 6-Amino-2-methylphenol
• Synonyms: 6-Amino-2-methylphenol;6-AMINO-O-CRESOL;2-methyl-6-aminophenol;ASISCHEM D50954;6-Amino-o-methylphenol;6-AMINO-ORTHO-CRESOL;6-AMINO-O-CRESOL, 99.5%;2-amino-6-methylphenol
• CAS NO: 17672-22-9
• Molecular Formula: C₇H₉NO
• Molecular Weight: 123.15
• Product Categories: Industrial/Fine Chemicals;pharmacetical
• Mol File: 17672-22-9.mol

Chemical Properties

• Melting Point: 86℃
• Boiling Point: 232.9 °C at 760 mmHg
• Flash Point: 94.7 °C
• Appearance: Light yellow crystal powder
• Density: 1.157 g/cm³
• Vapor Pressure: 0.0377mmHg at 25°C
• Refractive Index: 1.616
• Storage Temp.: 2-8°C(protect from light)
• PKA: 10.10±0.10(Predicted)
• CAS DataBase Reference: 6-Amino-2-methylphenol(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Amino-2-methylphenol(17672-22-9)
• EPA Substance Registry System: 6-Amino-2-methylphenol(17672-22-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 17672-22-9(Hazardous Substances Data)

Usage

Chemical Properties

Appearance:Light yellow crystal powder

InChI:InChI=1/C7H9NO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,8H2,1H3

Upstream product

• 13073-29-5 2-methyl-6-nitrophenol 
• 20294-50-2 4-bromo-2-methyl-6-nitrophenol 
• 95-48-7 ortho-cresol 

Downstream Products

• 1915-45-3 2-hydroxy-4,6-dimethyl-phenoxazin-3-one 
• 10531-82-5 7-methylbenzo[d]oxazole 
• 25674-56-0 2-Etiltio-6-metil-fenolo 
• 25674-55-9 2-methyl-6-(methylsulfenyl)phenol 
• 330791-16-7 cis-N₂-(4-{4-amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-4-methyl-1,3-benzoxazol-2-amine 
• 330791-70-3 Cis-N₂-(4-{4-amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-7-methyl-1,3-benzoxazol-2-amine 
• 220120-58-1 8-methyl-3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid ethyl ester 
• 93794-43-5 7-methyl-benzooxazole-2-thiol 
• 112808-51-2 2-bromo-N-(2-hydroxy-3-methylphenyl)-3-methylbutyramide 
• 125421-36-5 7-methyl-2-phenylbenzo[d]oxazole 

Relevant articles and documents

Crystal structure prediction of aminols: Advantages of a supramolecular synthon approach with experimental structures

The supramolecular synthon approach to crystal structure prediction (CSP) takes into account the complexities inherent in crystallization. The synthon is a kinetically favored unit, and through analysis of commonly occurring synthons in a group of related compounds, kinetic factors are implicitly invoked. The working assumption is that while the experimental structure need not be at the global minimum, it will appear somewhere in a list of computationally generated structures so that it can be suitably identified and ranked upward using synthon information. These ideas are illustrated with a set of aminophenols, or aminols. In the first stage, a training database is created of the 10 isomeric methylaminophenols. The crystal structures of these compounds were determined. The prototypes 2-, 3-, and 4-aminophenols were also included in the training database. Small and large synthons in these 13 crystal structures were then identified. Small synthons are of high topological but low geometrical value and are used in negative screens to eliminate computationally derived structures that are chemically unreasonable. Large synthons are more restrictive geometrically and are used in positive screens ranking upward predicted structures that contain these more well-defined patterns. In the second stage, these screens are applied to CSP of nine new aminols carried out in 14 space groups. In each space group, up to 10 lowest energy structures were analyzed with respect to their synthon content. The results are encouraging, and the predictions were classified as good, unclear, or bad. Two predictions were verified with actual crystal structure determinations.

Novel SIRT 1 activator and medical use thereof

The present invention relates to an SIRT 1 activator and a medical purpose thereof. According to the present invention, the novel SIRT 1 activator based on a benzo[d]oxazole frame, a hydrate thereof, a crystal form thereof, and salt thereof are manufactured. According to the present invention, it is confirmed that the SIRT 1 activator has improvement effects on obesity, insulin resistance, and dyslipidemia, improvement effect on fatty liver, prevention effects on cell aging and oxidation stress, and collagen composition and wrinkle improvement effect. Therefore, the novel SIRT 1 activator having the same effect can be usefully used as a pharmaceutical composition for preventing or treating a metabolic and liver diseases, a cosmetic composition for preventing or treating wrinkles, and a health food composition for preventing cell aging, wherein the metabolic disease includes obesity, diabetes, and dyslipidemia and the liver disease includes an alcoholic or nonalcoholic fatty liver and fatty hepatitis.COPYRIGHT KIPO 2018

COMPOUND HAVING ZNF143 INHIBITORY ACTIVITY AND USE THEREOF

PROBLEM TO BE SOLVED: To provide a compound having a ZNF143 inhibitory activity as well as to provide a ZNF143 inhibitory agent and pharmaceutical composition containing the same. SOLUTION: Provided is a compound represented by formula (I) or a salt thereof as well as a ZNF143 inhibitory agent containing the same and a pharmaceutical composition having the same as an active ingredient. A-B-C-D (I)[A is H, a methyl group, a naphthyl group, a phenyl group or a nitrogen-containing heterocyclic ring; B is as shown below, and C is an amide bond or a heteroaromatic ring containing N and O; D is a substituted/unsubstituted phenyl group or a monocyclic heteroaromatic ring containing N or S; and C and D are both fused heterocyclic ring or the like optionally having a substituent group.]. SELECTED DRAWING: Figure 1 COPYRIGHT: (C)2016,JPOandINPIT

Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates

The Woodward-Hoffmann rules predict whether concerted pericyclic reactions are allowed or forbidden based on the number of electrons involved and whether the cyclic orbital overlap involves suprafacial or antarafacial orbital overlap. Pseudopericyclic reactions constitute a third class of reactions in which orthogonal orbitals make them orbital symmetry allowed, regardless of the number of electrons involved in the reaction. Based on the recent report of eight-centered ester rearrangements, it is predicted that the isoelectronic eight-centered rearrangements of imidates would also be allowed. We now report that these rearrangements occur, and indeed, an eight-centered rearrangement is slightly favored in at least one case over the well-known six-centered Overman rearrangements, in a trichloroacetimidoylcyclohexadienone, a molecular system where both rearrangements are possible.

Difluoromethylbenzoxazole pyrimidine thioether derivatives: A novel class of potent non-nucleoside HIV-1 reverse transcriptase inhibitors

This paper reports the synthesis and antiviral properties of new difluoromethylbenzoxazole (DFMB) pyrimidine thioether derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitors. By use of a combination of structural biology study and traditional medicinal chemistry, several members of this novel class were synthesized using a single electron transfer chain process (radical nucleophilic substitution, SRN1) and were found to be potent against wild-type HIV-1 reverse transcriptase, with low cytotoxicity but with moderate activity against drug-resistant strains. The most promising compound 24 showed a significant EC50 value close to 6.4 nM against HIV-1 IIIB, a moderate EC50 value close to 54 μM against an NNRTI resistant double mutant (K103N + Y181C), but an excellent selectivity index >15477 (CC50 > 100 μM).

Dual-activation asymmetric strecker reaction of aldimines and ketimines catalyzed by a tethered bis(8-quinolinolato) aluminum complex

(Chemical Equation Presented) An aluminum complex was found to be high yielding and enantioselective for the addition of cyanide to aldimines and ketimines. Although catalytic asymmetric addition of cyanide to imines to generate ?-amino-protected nitriles (the Strecker reaction) has been extensively studied in the past, alternative, easier-to-handle reagents for this process are required for modern organic synthesis. To date, there are a limited number of reports utilizing alternative sources of cyanide other than KCN/HCN or TMSCN for this important reaction. The present catalyst provides uniformly high enantioselectivity for aromatic, heteroaromatic, and aliphatic aldimines and ketimines using ethyl cyanoformate as the cyanide source.

PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION

There is provided compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, m and n have meanings given in the description, and pharmaceutically acceptable derivatives thereof, which compounds are useful in the treatment of diseases and conditions associated with inflammation.

Regulatory molecules for the 5-HT3 receptor ion channel gating system

Substituted benzoxazole derivatives which possess a nitrogen-containing heterocycle at C2 are selective partial agonists of the 5-HT3 receptor. Alteration of substituents on the benzoxazole nucleus affords both agonist-like and antagonist-like compounds, and uniquely modifies the function of the 5-HT3 receptor ion channel gating system. SAR and corroborative computational docking study for these partial agonists successfully explained structure and function of the 5-HT3 receptor.

Nitrogen-containing fused ring compounds and use thereof

A URAT1 activity inhibitor containing a nitrogen-containing fused ring compound represented by the following formula [1]: wherein each symbol is as defined in the description. The present invention is useful for the prophylaxis or treatment of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like.

Pyrazolopyrimidines as therapeutic agents

The present invention is directed to pyrazolopyrimidine derivatives of formula (I) wherein the substituents are defined herein, which are useful as kinase inhibitors and as such are useful for affecting angiogenesis and diseases and conditions associated with angiogenesis.