562-13-0

Basic information

• Product Name: 2,2-Dimethylcyclohexane-1,3-dione
• Synonyms: 2,2-Dimethyl-1,3-cyclohexanedione;2,2-Dimethylcyclohexane-1,3-dione
• CAS NO: 562-13-0
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.18
• Mol File: 562-13-0.mol
• Article Data: 22

Chemical Properties

• Melting Point: 94-96℃
• Boiling Point: 103-105℃ (7.996 Torr)
• Flash Point: 85.101 °C
• Appearance: /
• Density: 1.017 g/cm³
• Vapor Pressure: 0.0552mmHg at 25°C
• Refractive Index: 1.452
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 2,2-Dimethylcyclohexane-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-Dimethylcyclohexane-1,3-dione(562-13-0)
• EPA Substance Registry System: 2,2-Dimethylcyclohexane-1,3-dione(562-13-0)

Safety Data

• Hazardous Substances Data: 562-13-0(Hazardous Substances Data)

Usage

General Description

2,2-Dimethylcyclohexane-1,3-dione is a chemical compound with a molecular formula of C8H12O2. It is a cyclic diketone with two methyl groups attached to the cyclohexane ring. 2,2-Dimethylcyclohexane-1,3-dione is often used in organic synthesis and as a reagent in chemical reactions. It has a melting point of 65-70°C and a boiling point of 229-230°C. 2,2-Dimethylcyclohexane-1,3-dione is commonly used in the production of pharmaceuticals, agrochemicals, and other fine chemicals due to its versatile chemical properties and reactivity. Additionally, it can be used as a precursor in the synthesis of various compounds and can also act as a chelating agent in coordination chemistry.

InChI:InChI=1/C8H12O2/c1-8(2)6(9)4-3-5-7(8)10/h3-5H2,1-2H3

Upstream product

• 504-02-9 1,3-cylohexanedione 
• 74-88-4 methyl iodide 
• 1193-55-1 2-methylcyclohexane-1,3-dione 
• 61447-86-7 (S)-3-hydroxy-2,2-dimethylcyclohexanone 
• 676-88-0 dimethyl(methylthio)sulfonium tetrafluoroborate 
• 29829-22-9 S-methyldibenzothiophenium tetrafluoroborate 
• 767-55-5 2,2,5,5-tetramethyl-1,3-dioxane 
• 6838-66-0 1,2-bis((trimethylsilyl)oxy)cyclopent-1-ene 
• 50786-07-7 2,2-dimethyl-1-oxa-spiro[2.4]heptan-4-one 
• 50650-22-1 GENERIC INORGANIC CATION; 3-oxo-cyclohex-1-enolate 
• 17530-69-7 3-chloro-5,5-dimethylcyclohex-2-en-1-one 
• 7732-18-5 water 
• 69948-55-6 3-(2,2-dimethylhydrazino)cyclohex-2-en-1-one 
• 124015-87-8 2-methyl-1,3-cyclohexanedione-dimethylhydrazone 

Downstream Products

• 104093-17-6 1,2,2,3-tetramethyl-cyclohexane-1,3-diol 
• 7499-43-6 5,5,5',5'-tetramethyl-2,2'-heptylidene-bis-cyclohexane-1,3-dione 
• 19419-23-9 2,2'-phenylmethylene-bis(5,5-dimethylcyclohexane-1,3-dione) 
• 40564-61-2 5-keto-6-methylheptanoic acid 
• 2181-22-8 bis(5,5-dimethylcyclohexane-1,3-dione-2-yl)methane 
• 94759-76-9 1,1-Dimethyl-2,6-diphenyl-cyclohexandiol-(2,6) 
• 114693-83-3 rac-(R,R)-2,2-dimethylcyclohexane-1,3-diol 
• 24071-98-5 ethyl 5-oxo-5-isopropylpentanoate 
• 6328-22-9 3-isopropyl-2-cyclohexen-1-one 
• 42541-67-3 2,2-dimethyl cyclohexane-1,3-diol 
• 61447-86-7 (S)-3-hydroxy-2,2-dimethylcyclohexanone 
• 87655-21-8 (S)-3-hydroxy-2,2-dimethylcyclohexanone 
• 878381-37-4 (3R)-2,2-dimethyl-3-hydroxycyclohexanone 
• 75072-38-7 3,3,7,7-tetramethyl-1,5-dioxaspiro[5,5]undecan-8-one 

Relevant articles and documents

Acylative desymmetrization of cyclic meso-1,3-diols by chiral DMAP derivatives

An efficient enantioselective acylative desymmetrization of cyclic meso-1,3-diols was developed by using a chiral DMAP derivative 1e having a 1,1¤-binaphthyl unit. The reactions required only 0.5mol% of the catalyst and showed good to excellent enantioselectivity. With this transformation, 5a, a key building block for the synthesis of natural products, was easily obtained in almost enantiomerically pure form after a single recrystallization. Control experiments revealed that tert-alcohol units on the catalyst were responsible for both the catalytic activity and enantioselectivity.

Four and ring kinase inhibitors

The invention belongs to the technical field of medicines and relates to a tetra-cyclo-kinase inhibitor shown in the general formula (I) and its pharmaceutically acceptable salt, stereisomer, ester or solvate. In the general formula (I), R1, R2, R3, R4, M, W, X, Y and Z are defined in the specification. The invention also relates to a preparation method of the compounds, a drug containing the compounds, and a use of the compounds and its pharmaceutically acceptable salt, stereisomer, ester or solvate in preparation of a drug for treating and/or preventing ALK-mediated cancer-related diseases.

Synthesis of paclitaxel. 1. synthesis of the abc ring of paclitaxel by SmI2-mediated cyclization

A convergent synthesis of the ABC ring of antitumor natural product paclitaxel (Taxol) is described. SmI2-mediated reductive cyclization of an allylic benzoate possessing an aldehyde function, synthesized from tri-O-acetyl-d-glucal and 1,3-cyclohexanedione, smoothly afforded the highly strained 6-8-6 tricarbocyclic structure in 66% yield.