32333-31-6

Basic information

• Product Name: 2,2-diMethyl-6-acetylchroMan
• Synonyms: 2,2-diMethyl-6-acetylchroMan;1-(2,2-dimethylchroman-6-yl)ethanone;1-(2,2-DIMETHYL-3,4-DIHYDRO-2H-CHROMEN-6-YL)ETHANONE（WS204429）
• CAS NO: 32333-31-6
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.26494
• EINECS: -0
• Mol File: 32333-31-6.mol
• Article Data: 14

Chemical Properties

• Melting Point: 90 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 329.3°Cat760mmHg
• Flash Point: 145.6°C
• Appearance: /
• Density: 1.035g/cm³
• Vapor Pressure: 0.000179mmHg at 25°C
• Refractive Index: 1.513
• CAS DataBase Reference: 2,2-diMethyl-6-acetylchroMan(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-diMethyl-6-acetylchroMan(32333-31-6)
• EPA Substance Registry System: 2,2-diMethyl-6-acetylchroMan(32333-31-6)

Safety Data

• Hazardous Substances Data: 32333-31-6(Hazardous Substances Data)

Usage

General Description

2,2-diMethyl-6-acetylchroMan is a chemical compound with the molecular formula C12H16O2. It is a derivative of chroman, a type of organic compound with a bicyclic structure. The compound contains two methyl groups and an acetyl group, giving it its distinct chemical properties. 2,2-diMethyl-6-acetylchroMan is commonly used in the field of organic synthesis and chemical research as a building block for the synthesis of various pharmaceuticals, agrochemicals, and fragrances. Its unique structure and reactivity make it a valuable tool in the development of new compounds with potential applications in various industries.

InChI:InChI=1/C13H16O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-5,8H,6-7H2,1-3H3

Upstream product

• 81944-40-3 4-hydroxy-3-(3'-hydroxyisopentyl)acetophenone 
• 870-63-3 prenyl bromide 
• 99-93-4 4-Hydroxyacetophenone 
• 19013-07-1 desmethoxyencecalin 
• 35816-87-6 4-(1,1-dimethylprop-2-ynyloxy)acetophenone 
• 26932-05-8 1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone 
• 1111-97-3 3-chloro-3-methylbut-1-yne 
• 100-85-6 N-benzyl-trimethylammonium hydroxide 
• 157953-22-5 1-[4-Benzyloxy-3-(3-hydroxy-3-methyl-but-1-ynyl)-phenyl]-ethanone 
• 157953-15-6 1-(4-benzyloxy-3-iodophenyl)ethanone 
• 54696-05-8 4'-benzyloxy-acetophenone 
• 4167-73-1 4-(2-hydroxyphenyl)-2-methyl-2-butanol 
• 1198-96-5 2,2-dimethylchroman 
• 75-36-5 acetyl chloride 

Downstream Products

• 1442439-45-3 ethyl 4-[[[8-bromo-2,2-dimethyl-4-(4-methylphenyl)-6-chromanyl]carbonyl]amino]benzoate 
• 1442439-46-4 4-[[[8-bromo-2,2-dimethyl-4-(4-methylphenyl)-6-chromanyl]carbonyl]amino]benzoic acid 
• 1392286-15-5 4-(5-(2,2-dimethylchroman-6-yl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide 
• 2039-47-6 2,2-dimethylchroman-6-carboxylic acid 
• 71822-00-9 <1-hydroxyethyl>-2,2-dimethylchromene 
• 192762-74-6 ethyl 2,6-difluoro-4-({[8-bromo-2,2-dimethyl-4-(4-methylphenyl)-6-chromanyl]carbonyl}amino)benzoate 
• 192762-73-5 ethyl 2-fluoro-4-[[[8-bromo-2,2-dimethyl-4-(4-methylphenyl)-6-chromanyl]carbonyl]amino]benzoate 
• 192762-71-3 ethyl 8-bomo-2,2-dimethyl-4-(4-methylphenyl)-4(2H)-chroman-6-carboxylate 
• 192762-72-4 8-bromo-2,2-dimethyl-4-(4-methylphenyl)-4(2H)-chroman-6-carboxylic acid 

Relevant articles and documents

BF3-Et3O-mediated one-pot synthesis of acetylchromans from polyhydroxyacetophenones and isoprene/allyl alcohol

A convenient one-pot method has been developed for the synthesis of substituted acetylchromans involving the condensation of polyhydroxyacetophenone with isoprene and long chain allylic alcohol (phytol) in the presence of borontrifluoride etherate (BF3-Et2O). Copyright Taylor & Francis Group, LLC.

RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION

Modulators of retinoid acid receptor-alpha (RARα) of formula (I) are provided herein, as well as pharmaceutical compositions and methods relating thereto.

Identification of anticancer agents based on the thieno[2,3-b]pyridine and 1H-pyrazole molecular scaffolds

Structural similarity search of commercially available analogues of thieno[2,3-b]pyridine and 1H-pyrazole derivatives, known anticancer agents, resulted in 717 hits. These were docked into the phosphoinositide specific-phospholipase C (PLC) binding pocket, the putative target of the compounds, to further focus the selection. Thirteen derivatives of the thieno[2,3-b]pyridines were identified and tested against the NCI60 panel of human tumour cell lines. The most active derivative 1 was most potent against the MDA-MB-435 melanoma cell line with GI50at 30?nM. Also, it was found that a piperidine moiety is tolerated on the thieno[2,3-b]pyridine scaffold with GI50?=?296?nM (MDA-MB-435) for derivative 10 considerably expanding the structure activity relationship for the series. For the 1H-pyrazoles four derivatives were identified using the in silico approach and additionally ten were synthesised with various substituents on the phenyl moiety to extend the structural activity relationship but only modest anticancer activity was found.