ChemicalBook--->CAS DataBase List--->874-63-5

874-63-5

874-63-5 Structure

874-63-5 Structure
IdentificationMore
[Name]

3,5-Dimethylanisole
[CAS]

874-63-5
[Synonyms]

1,3-DIMETHYL-5-METHOXYBENZENE
3,5-DIMETHYLANISOLE
5-METHOXY-M-XYLENE
SPECS AC-509/25002099
1-Methoxy-3,5-dimethylbenzene
Anisole, 3,5-dimethyl
Benzene, 1-methoxy-3,5-dimethyl-
3,5-DIMETHYLANISOLE, 99+%
1-Methoxy-3,5-dimethylbenzen
5-Methoxy-1,3-dimethylbenzene
3,5-Dimethyl-1-methoxybenzene
[EINECS(EC#)]

212-865-3
[Molecular Formula]

C9H12O
[MDL Number]

MFCD00008398
[Molecular Weight]

136.19
[MOL File]

874-63-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to light yellow liquid
[Boiling point ]

193 °C (lit.)
[density ]

0.963 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.512(lit.)
[Fp ]

150 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[color ]

Clear colorless to light yellow
[BRN ]

2040905
[InChI]

InChI=1S/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3
[InChIKey]

JCHJBEZBHANKGA-UHFFFAOYSA-N
[SMILES]

C1(OC)=CC(C)=CC(C)=C1
[CAS DataBase Reference]

874-63-5(CAS DataBase Reference)
[NIST Chemistry Reference]

3,5-Dimethylanisole(874-63-5)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

3271
[WGK Germany ]

3
[HS Code ]

29093090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethyl carbonate-->3,5-Dimethylphenol-->Iodomethane-->N,N-Dimethylformamide-->Potassium carbonate
[Preparation Products]

(2,6-Dimethyl-4-methoxyphenyl)boronic acid-->4-Bromo-3,5-dimethylphenol-->2,6-Dimethylbenzoquinone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Dimethylanisole(874-63-5).msds
Questions And AnswerBack Directory
[Application]

3,5-Dimethylanisole is an ether organic compound that can be used as an organic intermediate.
Hazard InformationBack Directory
[Chemical Properties]

clear colourless to light yellow liquid
[Synthesis]

3,5-Dimethylphenol

108-68-9

Iodomethane

74-88-4

3,5-Dimethylanisole

874-63-5

3,5-Dimethylphenol (10 g, 0.082 mol) and anhydrous potassium carbonate (34 g, 0.25 mol) were added to N,N-dimethylformamide (DMF, 150 mL), and methyl iodide (12.8 g, 0.090 mol) was added slowly and dropwise under cooling in an ice bath. The reaction mixture was stirred at room temperature overnight. After completion of the reaction, water was added to the system and extracted with ethyl acetate. The organic phase was washed with saturated sodium chloride solution, dried over anhydrous sodium sulfate and concentrated under reduced pressure. Purification by silica gel column chromatography afforded 3,5-dimethylanisole (10 g, 90% yield).1H NMR (400 MHz, CDCl3) δ: 6.60 (s, 1H), 6.53 (s, 2H), 3.77 (s, 3H), 2.29 (s, 6H).

[References]

[1] Chemical Communications, 2011, vol. 47, # 25, p. 7218 - 7220
[2] Chemistry - An Asian Journal, 2016, vol. 11, # 22, p. 3267 - 3274
[3] Patent: EP2845854, 2015, A1. Location in patent: Paragraph 0101-0102
[4] Patent: US2015/133538, 2015, A1. Location in patent: Paragraph 0208-0211; 0232-0235; 0337-0340
[5] Patent: US2009/270469, 2009, A1. Location in patent: Page/Page column 28
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dimethylanisole(874-63-5)MS
3,5-Dimethylanisole(874-63-5)1HNMR
3,5-Dimethylanisole(874-63-5)13CNMR
3,5-Dimethylanisole(874-63-5)IR1
3,5-Dimethylanisole(874-63-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dimethylanisole, 99%(874-63-5)
[Alfa Aesar]

3,5-Dimethylanisole, 99%(874-63-5)
[Sigma Aldrich]

874-63-5(sigmaaldrich)
[TCI AMERICA]

3,5-Dimethylanisole,>98.0%(GC)(874-63-5)
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