CAS No.4079-52-1,2-METHOXYACETOPHENONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4079-52-1
Name:	2-METHOXYACETOPHENONE
Article Data:	77

Formula:	C₉H₁₀O₂
Molecular Weight:	150.177
Synonyms:	Acetophenone,2-methoxy- (8CI);2-Methoxy-1-phenylethanone;2-Methoxyacetophenone;Methoxymethyl phenyl ketone;NSC 227212;NSC 354;a-Methoxyacetophenone;w-Methoxyacetophenone;
EINECS:	223-802-4
Density:	1.044 g/cm³
Melting Point:	7-8 °C(lit.)
Boiling Point:	237.9 °C at 760 mmHg
Flash Point:	94.9 °C
PSA:	26.30000
LogP:	1.51570

Synthetic route

: 143191-51-9
1-phenyl-1,1,2-trimethoxyethane

: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
With hydrogenchloride	100%

: 143191-50-8
1-acetoxy-1-fluoro-1-phenyl-2-methoxyethane

: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
With base	100%

: 67-56-1
methanol

: 98-86-2
acetophenone

A: 4636-16-2
iodoacetophenone

B: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
With ammonium iodide; Oxone for 2.3h; Reflux;	A 92% B 6%

...Expand

: 6919-61-5
N-methoxy-N-methylbenzamide

: 107-30-2
chloromethyl methyl ether

: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran; mineral oil at -78℃; for 2.5h; Inert atmosphere; Schlenk technique;	91%

: 67-56-1
methanol

: 3282-32-4
2-diazo-acetophenone

: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
In(OSO2CF3)3 at 20℃; for 0.0333333h;	90%
With montmorillonite K-10	87%
at 25℃; for 1h; Green chemistry;	87%

: 67-56-1
methanol

: 13735-81-4
1-styrenyloxytrimethylsilane

: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
With Ph[I(OH)OTf] 18-crown-6 complex monohydrate at -78 - 20℃; for 7h;	87%
With C6H6BF4IO*C12H24O6 In dichloromethane at -70 - 20℃; for 4.5h; Reagent/catalyst; Inert atmosphere;	87%
With iodosylbenzene; boron trifluoride diethyl etherate at -70 - 25℃; for 3.5h; Mechanism; var. silyl enol ethers;	78%

: 1638623-53-6
methoxydimethyl((1-phenylvinyl)oxy)silane

: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene In dichloromethane at 25℃; Inert atmosphere; Schlenk technique;	86%

: 13735-81-4
1-styrenyloxytrimethylsilane

: 36336-08-0
methyl hypofluorite

: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
In chloroform; acetonitrile at -40 - 20℃;	85%

: 3587-84-6
2-methoxy-1-phenylethanol

: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
With 2-Picolinic acid; manganese(II) perchlorate hexahydrate; butanedial; dihydrogen peroxide; sodium acetate In acetonitrile at 0 - 20℃; for 1h;	83%
With chlorine-triphenylphosphine; dimethyl sulfoxide; triethylamine In dichloromethane at -78 - 20℃; for 3.25h;	70%
With bromopentacarbonylmanganese(I); N-methyl-N,N-di(2-pyridylmethyl)amine; acetone; sodium t-butanolate In toluene at 90℃; for 24h; Inert atmosphere; Schlenk technique; Darkness;	35 %Chromat.

: 67-56-1
methanol

: 98-86-2
acetophenone

: 4079-52-1
methoxymethyl phenyl ketone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; toluene-4-sulfonic acid hydrazide In water at 20℃; for 16h; Mechanism; Temperature; Reagent/catalyst; Schlenk technique;	83%

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Specification

The CAS register number of Ethanone,2-methoxy-1-phenyl- is 4079-52-1. It also can be called as alpha-Methoxyacetophenone and the IUPAC name about this chemical is 2-methoxy-1-phenylethanone. The molecular formula about this chemical is C₉H₁₀O₂ and the molecular weight is 150.17. It belongs to the following product categories which include C9; Carbonyl Compounds; Ketones and so on.

Physical properties about Ethanone,2-methoxy-1-phenyl- are: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 6.78; (5)ACD/BCF (pH 7.4): 6.78; (6)ACD/KOC (pH 5.5): 137.02; (7)ACD/KOC (pH 7.4): 137.02; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å²; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 42.65 cm³; (13)Molar Volume: 143.8 cm³; (14)Polarizability: 16.91x10^-24cm³; (15)Surface Tension: 35.8 dyne/cm; (16)Flash Point: 94.9 °C; (17)Enthalpy of Vaporization: 47.48 kJ/mol; (18)Boiling Point: 237.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0436 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-diazo-1-phenyl-ethanone and methanol. This reaction will need reagent copper.

Uses of Ethanone,2-methoxy-1-phenyl-: it can be used to produce oxo-phenyl-acetic acid methyl ester with methanol at heating. This reaction will need reagent Br₂ with reaction time of 1 hours. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)COC
(2)InChI: InChI=1/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3)InChIKey: YRNDGUSDBCARGC-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(5)Std. InChIKey: YRNDGUSDBCARGC-UHFFFAOYSA-N