ChemicalBook--->CAS DataBase List--->586-37-8

586-37-8

586-37-8 Structure

586-37-8 Structure
IdentificationMore
[Name]

3-Methoxyacetophenone
[CAS]

586-37-8
[Synonyms]

1-(3-methoxyphenyl)ethanone
3-ACETANISOLE
3-ACETOANISOLE
3-ACETYLANISOLE
3'-METHOXYACETOPHENONE
3-METHOXYACETOPHENONE
AKOS BBS-00003224
M-ACETANISOLE
M-ACETYLANISOLE
M-METHOXYACETOPHENONE
1-Acetyl-3-methoxybenzene
Acetophenone, 3'-methoxy-
Acetophenone, m-methoxy-
Ethanone,1-(3-methoxyphenyl)-
meta-Methoxyacetophenone
Methyl 3-methoxyphenyl ketone
m-Methoxyacetophennone
3'-Methoxyacetophenone m-Acetanisole 3-Acetanisole
3-Methoxyacetophenone,>99%
3-Methoxyacetophenone,97%
[EINECS(EC#)]

209-573-3
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD00008736
[Molecular Weight]

150.17
[MOL File]

586-37-8.mol
Chemical PropertiesBack Directory
[Appearance]

clear slightly yellow to slightly brown liquid
[Melting point ]

-7 °C
[Boiling point ]

239-241 °C(lit.)
[density ]

1.094 g/mL at 25 °C(lit.)
[vapor pressure ]

2.41-10.665Pa at 20-25℃
[refractive index ]

n20/D 1.542(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Liquid
[color ]

Clear slightly yellow to slightly brown
[Specific Gravity]

1.094
[Water Solubility ]

Fully miscible in water. Soluble in alcohol.
[Sensitive ]

Light Sensitive
[BRN ]

878552
[Henry's Law Constant]

1.9×101 mol/(m3Pa) at 25℃, Ji et al. (2008)
[InChI]

1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
[InChIKey]

BAYUSCHCCGXLAY-UHFFFAOYSA-N
[SMILES]

COc1cccc(c1)C(C)=O
[LogP]

1.86-2.085 at 20-25℃
[CAS DataBase Reference]

586-37-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanone, 1-(3-methoxyphenyl)-(586-37-8)
Questions And AnswerBack Directory
[Synthesis]

5,5'-Dimethyl-2,2'-Bipyridine 8 (4.10 mg, 0.023 mmol, 15 mol%), MgCl2 (28.4 mg, 0.300 mmol, 200 mol%), Ni(acac)2 (5.90 mg, 0.023 mmol, 15 mol%), and zinc powder (29.4 mg, 0.450 mmol, 300 mol%) were placed into a flame-dried Schlenk tube equipped with a magnetic stir bar. The tube was then transferred to a dry glove box, and TBAI (27.7 mg, 0.075 mmol, 50 mol%) was added. The tube was covered with a rubber diaphragm and then removed from the glove box.

Then, acidic chloride (0.225 mmol, 150 mol%), methanesulfonate (0.150 mmol, 100 mol%), THF (0.8 mL), and CH3CN (0.2 mL) were added via syringe. The reaction mixture was stirred for 12 hours at 30°C under a N2 atmosphere and then directly loaded onto a silica gel column without further treatment. The reaction vessel was rinsed with a small amount of DCM to remove any residue. Rapid column chromatography (SiO2: ethyl acetate in hexane) was performed. 1-(3-methoxyphenyl)acetone (38). 21 was prepared using 3-methoxybenzoyl chloride (0.225 mmol, 150 mol%) and methanesulfonate (0.150 mmol, 100 mol%). After purification by column chromatography (SiO2: 10% ethyl acetate in hexane), a colorless oily 3-methoxyacetophenone (10.8 mg, 48% yield) was obtained.

586-37-8 composite

Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P261-P280
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HS Code ]

29145000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2
Skin Irrit. 2
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

m-Methoxyacetophenone(586-37-8).msds
Hazard InformationBack Directory
[Chemical Properties]

clear slightly yellow to slightly brown liquid
[Uses]

It is applied in the asymmetric transfer hydrogenation of ketones catalyzed by ruthenium(II) complexes.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 109, p. 7137, 1987 DOI: 10.1021/ja00257a038
Synthesis, p. 406, 1987 DOI: 10.1055/s-1987-27965
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methoxyacetophenone(586-37-8)MS
3-Methoxyacetophenone(586-37-8)1HNMR
3-Methoxyacetophenone(586-37-8)13CNMR
3-Methoxyacetophenone(586-37-8)IR1
3-Methoxyacetophenone(586-37-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3'-Methoxyacetophenone, 98%(586-37-8)
[Alfa Aesar]

3'-Methoxyacetophenone, 97%(586-37-8)
[Sigma Aldrich]

586-37-8(sigmaaldrich)
[TCI AMERICA]

3'-Methoxyacetophenone,>97.0%(GC)(586-37-8)
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