2364-54-7

Basic information

• Product Name: 6-NITROSOTHYMOL
• Synonyms: 5-METHYL-4-NITROSO-2-ISOPROPYLPHENOL;2-ISOPROPYL-5-METHYL-4-NITROSOPHENOL;PARA-NITROSOTHYMOL;6-NITROSOTHYMOL 95%;5-Methyl-2-(1-methylethyl)-4-nitrosophenol;5-methyl-4-nitroso-2-propan-2-ylphenol;5-methyl-4-nitroso-2-propan-2-yl-phenol;TIMTEC-BB SBB008235
• CAS NO: 2364-54-7
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.22
• Mol File: 2364-54-7.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 318.8 °C at 760 mmHg
• Flash Point: 146.6 °C
• Appearance: /
• Density: 1.1 g/cm³
• Vapor Pressure: 0.000189mmHg at 25°C
• Refractive Index: 1.534
• CAS DataBase Reference: 6-NITROSOTHYMOL(CAS DataBase Reference)
• NIST Chemistry Reference: 6-NITROSOTHYMOL(2364-54-7)
• EPA Substance Registry System: 6-NITROSOTHYMOL(2364-54-7)

Safety Data

• Hazardous Substances Data: 2364-54-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,12H,1-3H3

Upstream product

• 89-83-8 thymol 
• 7647-01-0 hydrogenchloride 
• 64-17-5 ethanol 
• 1076-56-8 Thymol methyl ether 

Downstream Products

• 32121-65-6 2-isopropyl-5-methyl-[1,4]benzoquinone-4-(4-hydroxy-5-isopropyl-2-methyl-phenylimine) 
• 7251-23-2 2-isopropyl-4-(4-isopropyl-benzylidenamino)-5-methyl-phenol 
• 101584-28-5 N-(4-hydroxy-5-isopropyl-2-methylphenyl)benzamide 
• 3383-30-0 4-amino-N-acetyl-6-isopropyl-3-methylphenol 
• 2217-60-9 thymohydroquinone 
• 490-91-5 thymoquinone 

Relevant articles and documents

Synthesis, characterization, and antioxidant activity of thymol-based paracetamol analogues

Thymol (2-isopropyl-5-methylphenol) is an important monoterpene phenol occurring in the essential oils isolated from Thymus vulgaris, Thymus zygis, Thymus hyemalis, etc. Thymol and its derivatives show various activities such as antioxidant, antiinflammatory, antibacterial, and antifungal effects. In the present study, a set of new benzamide derivatives (4a–e), which are structurally similar to paracetamol, were synthesized from thymol using a green synthetic approach and characterized by Fourier-transform infrared (FT-IR) and 1H and 13C nuclear magnetic resonance (NMR) spectroscopies, liquid chromatography–mass spectrometry (LC–MS), and X-ray single-crystallographic analysis for derivative 4c. These derivatives were subjected to antioxidant testing by 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay and antibacterial testing against five microorganisms. Molecular docking studies of all the compounds indicated that they are good inhibitors of heme oxygenase-1. These results extend the development of thymol-based benzamide scaffolds as promising antioxidant agents.

Synthesis, characterizations, biological activities and docking studies of novel dihydroxy derivatives of natural phenolic monoterpenoids containing azomethine linkage

Abstract: In the present work, we report the synthesis of six new azomethine linkage containing dihydroxy derivatives of carvacrol, thymol, and eugenol. All the synthesized derivatives have been characterized by spectroscopic techniques and their structures were confirmed by X-ray single crystallography. Synthesized derivatives were screened for anti-oxidant activity using DPPH radical scavenging assay, and anticancer activity by using SRB assay against pancreatic cancer with MIAPaCa-2 and colon cancer with HCT-15 cell lines. The molecular docking studies of all the synthesized derivatives were performed on cyclooxygenases (COX-2) protein enzyme. In the anti-oxidant test, the values of EC50 indicated that all the compounds show excellent anti-oxidant potency, and similarly the GI50 values in anticancer tests indicated that most of the compounds possess good anticancer efficacy. The overall docking score suggested that all the synthesized compounds exhibit good binding affinity towards cyclooxygenases (COX-2) protein enzyme.

Synthesis of 2,5-disubstituted-1,3,4-oxadiazole, 1,5-disubstituted-2-mercapto-1,3,4-triazole and 2,5-disubstituted-1,3,4-thiadiazole derivatives as potential antimicrobial agents

p-Nitrosothymoxyacetic acid hydrazide 1 has been synthesised from ethyl p-nitrosothymoxy acetate on condensation with hydrazine hydrate. Compound 1 on treatment with arylisocyanates yields its thiosemicarbazides 2. Compounds 2 on chemoselective heterocycl