1-(2-Methylphenyl)propan-1-one supplier

Name
ETHYL-O-TOLYL KETONE
EINECS
CAS No. 2040-14-4
Article Data35
CAS DataBase
Density 0.963 g/cm³
Solubility
Melting Point -27.6°C
Formula C₁₀H₁₂O
Boiling Point 219.5 °C at 760 mmHg
Molecular Weight 148.205
Flash Point 93.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propiophenone,2'-methyl- (7CI,8CI);2'-Methylpropiophenone;NSC 100176;o-Methylpropiophenone;
PSA 17.07000
LogP 2.58770

Synthetic route

: 529-19-1
2-Methylbenzonitrile

: 75-03-6
ethyl iodide

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Stage #1: ethyl iodide With iodine; magnesium In diethyl ether for 1.5h; Heating; Stage #2: 2-Methylbenzonitrile In diethyl ether for 2h; Grignard reaction; Heating;	97%

: 61017-92-3
1-(2-methylphenyl)-1-propanol

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
With jones reagent In acetone at 20 - 30℃;	95%
With Jones reagent In isopropyl alcohol; acetone at 0℃; for 2.5h; Jones Oxidation; Inert atmosphere;	93%
With chromium(VI) oxide; sulfuric acid In acetone for 2h;	79.2%

: 123-62-6
propionic acid anhydride

: 108-88-3
toluene

A: 2040-14-4
2-methylpropiophenone

B: 5337-93-9
4'-methylpropiophenone

Conditions

Conditions	Yield
HZSM-5 at 250℃; for 12h; other catalyst: HY-Zeolite; Yield given;	A n/a B 90%
HZSM-5 at 250℃; for 12h; other catalyst: HY-Zeolite; Yields of byproduct given;	A n/a B 90%
With ruthenium sulfate; zirconium(IV) oxide at 110℃; for 2h; Product distribution; Further Variations:; Reagents;

...Expand

: 118-90-1
ortho-methylbenzoic acid

: 2386-64-3
ethylmagnesium chloride

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Stage #1: ortho-methylbenzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 0.333333h; Stage #2: ethylmagnesium chloride With iron(III)-acetylacetonate In tetrahydrofuran at 20℃; for 0.333333h;	75%

: 97-94-9
triethyl borane

: N-methyl-N-tosyl-2-methylbenzamide

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium carbonate In tetrahydrofuran; tert-butyl methyl ether at 20℃; for 24h; Inert atmosphere; Schlenk technique;	72%

: 15898-37-0
sodium 2-methylbenzenesulfinate

: 107-12-0
propiononitrile

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; trifluoroacetic acid; 6-methyl-2,2'-bipyridine In tetrahydrofuran; water at 100℃; for 1h; Microwave irradiation;	66%

: 10467-10-4
ethylmagnesium iodide

: 529-19-1
2-Methylbenzonitrile

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Zersetzung des Reaktionsprodukts mit Wasser;
(i) , (ii) aq. H2SO4; Multistep reaction;

: 529-19-1
2-Methylbenzonitrile

: 925-90-6
ethylmagnesium bromide

: 2040-14-4
2-methylpropiophenone

: 529-19-1
2-Methylbenzonitrile

: 925-90-6
ethylmagnesium bromide

A: 2040-14-4
2-methylpropiophenone

B: 861303-20-0
1-(2-methylphenyl)--1-imine

...Expand

: 861303-20-0
1-(2-methylphenyl)--1-imine

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
With hydrogenchloride

: 118-90-1
ortho-methylbenzoic acid

: 802294-64-0
propionic acid

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
at 460℃; beim Leiten ueber ThO2;

: 933-88-0
ortho-toluoyl chloride

: 999-75-7
ethylzinc iodide

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
With toluene

: 529-19-1
2-Methylbenzonitrile

ethyl magnesium halide: ethyl magnesium halide

: 2040-14-4
2-methylpropiophenone

: 123-62-6
propionic acid anhydride

: 108-88-3
toluene

A: 2040-14-4
2-methylpropiophenone

B: 5337-93-9
4'-methylpropiophenone

C: 51772-30-6
3'-Methylpropiophenone

Conditions

Conditions	Yield
With indium(III) chloride; 1-butyl-3-methylimidazolium chloride at 110℃; for 48h; Friedel-Crafts acylation; Title compound not separated from byproducts;
With chlorosulfonic acid-modified mesoporous zirconia at 180℃; for 3h; Kinetics; Reagent/catalyst; Temperature; Friedel-Crafts acylation; Autoclave; Neat (no solvent);

...Expand

: 529-20-4
2-methylphenyl aldehyde

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 92 percent / diethyl ether 2: 69 percent / CrO3; H2SO4 / acetone; H2O / 2 h / 10 °C View Scheme
Multi-step reaction with 2 steps 1: diethyl ether / 1 h / 0 °C / Inert atmosphere 2: Jones reagent / isopropyl alcohol; acetone / 2.5 h / 0 °C / Inert atmosphere View Scheme

: 529-20-4
2-methylphenyl aldehyde

acid: acid

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 87 percent / diethyl ether / 1.) RT, 1 h, 2.) reflux, 2 h 2: 95 percent / Jones reagent / acetone / 20 - 30 °C View Scheme

: 932-31-0
ortho-tolylmagnesium bromide

: 2040-14-4
2-methylpropiophenone

: 529-19-1
2-Methylbenzonitrile

: 925-90-6
ethylmagnesium bromide

: ammonium chloride

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
In tetrahydrofuran

...Expand

: 95-46-5
2-methylphenyl bromide

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: n-butyllithium 2: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / ethyl acetate / Reflux View Scheme

: 133-59-5
Toluene-2-sulfonyl chloride

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium sulfite; sodium hydrogencarbonate / water / 3 h / Reflux 2: palladium(II) trifluoroacetate; 6-methyl-2,2'-bipyridine; trifluoroacetic acid / water; tetrahydrofuran / 1 h / 100 °C / Microwave irradiation View Scheme

: 925-90-6
ethylmagnesium bromide

: 130250-61-2
2-methyl-N-methoxy-N-methylbenzamide

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃; for 4h; Inert atmosphere;

: 118-90-1
ortho-methylbenzoic acid

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 4 h / 0 - 20 °C / Inert atmosphere 2: potassium carbonate / water; ethyl acetate / 4 h / 0 - 20 °C 3: tetrahydrofuran / 4 h / 0 - 20 °C / Inert atmosphere View Scheme

: 933-88-0
ortho-toluoyl chloride

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / water; ethyl acetate / 4 h / 0 - 20 °C 2: tetrahydrofuran / 4 h / 0 - 20 °C / Inert atmosphere View Scheme

: 2040-14-4
2-methylpropiophenone

: 61017-92-3, 126624-06-4, 117409-10-6
(S)-1-(2-methylphenyl)-1-propanol

Conditions

Conditions	Yield
With formic acid; [RuCl2(hexamethylbenzene)]2; (S)-2-piperidinemethanethiol hydrochloride; triethylamine at 30℃; for 24h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	99%

: 5344-90-1
2-Aminobenzyl alcohol

: 2040-14-4
2-methylpropiophenone

: 16600-51-4
1,2-dihydrobenzo[c]acridine

Conditions

Conditions	Yield
With C27H24Cl3F6IrN2; potassium hydroxide In toluene at 135℃; for 16h;	91%

: 67-56-1
methanol

: 2040-14-4
2-methylpropiophenone

: 2040-21-3
2'-methylisobutyrophenone

Conditions

Conditions	Yield
With C34H27IrN2P(1+)*C32H12BF24(1-); caesium carbonate at 65℃; for 24h; Inert atmosphere;	90%

: 624-31-7
4-tolyl iodide

: 2040-14-4
2-methylpropiophenone

: C24H22O

Conditions

Conditions	Yield
With palladium diacetate; sodium carbonate In dimethyl sulfoxide at 120℃; for 24h;	84%

: 2040-14-4
2-methylpropiophenone

: 1670-14-0
benzamidine monohydrochloride

: 2-phenyl-4-(o-tolyl)pyrimidine

Conditions

Conditions	Yield
With [2,2]bipyridinyl; TEMPOL; copper diacetate; sodium acetate In 1,2-dichloro-benzene at 140℃; for 24h; Sealed tube;	79%

: 50-00-0
formaldehyd

: 2040-14-4
2-methylpropiophenone

: 25150-61-2
pyrrolidine hydrochloride

: 2-Methyl-3-pyrrolidin-1-yl-1-o-tolyl-propan-1-one

Conditions

Conditions	Yield
With hydrogenchloride In isopropyl alcohol Heating;	73%

...Expand

: 2040-14-4
2-methylpropiophenone

: 105551-42-6
(mesyloxyhydroxyiodo)benzene

: 2-mesyloxy-1-(2-methylphenyl)-1-propanone

Conditions

Conditions	Yield
	72%

: 2040-14-4
2-methylpropiophenone

: 65-85-0
benzoic acid

: 1312799-20-4
1-oxo-1-(o-tolyl)propan-2-yl benzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In ethyl acetate at 20 - 75℃; for 36h;	56%

: 4071-88-9
trimethylsilanyl-acetic acid ethyl ester

: 2040-14-4
2-methylpropiophenone

A: 1499188-86-1
(Z)-ethyl 3-(o-tolyl)pent-2-enoate

B: 1499188-87-2
(E)-ethyl 3-(o-tolyl)pent-2-enoate

Conditions

Conditions	Yield
Stage #1: trimethylsilanyl-acetic acid ethyl ester With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.166667h; Peterson Olefination; Inert atmosphere; Stage #2: 2-methylpropiophenone In tetrahydrofuran; hexane at -78 - -20℃; for 4h; Peterson Olefination; Inert atmosphere;	A 18% B 41%

...Expand

: 2040-14-4
2-methylpropiophenone

: 106-96-7
propargyl bromide

: 356567-09-4
2-methyl-1-o-tolyl-pent-4-yn-1-one

Conditions

Conditions	Yield
Stage #1: 2-methylpropiophenone With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.5h; Stage #2: propargyl bromide With N,N,N,N,N,N-hexamethylphosphoric triamide In tetrahydrofuran; toluene at -78 - 20℃;	39%

: 2040-14-4
2-methylpropiophenone

: 122-51-0
orthoformic acid triethyl ester

: 2-(2-methylphenyl)propanoic acid ethyl ester

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; toluene-4-sulfonic acid	38%

: 31583-38-7
tert-butyl 1,4-dioxo-1,4-dihydro-3H-benzo[d][1,2]oxazine-3-carboxylate

: 2040-14-4
2-methylpropiophenone

A: (Z)-3-(1-oxo-1-(otolyl)propan-2-ylidene)isobenzofuran-1(3H)-one

B: (E)-3-(1-oxo-1-(o-tolyl)propan-2-ylidene)isobenzofuran-1(3H)-one

Conditions

Conditions	Yield
Stage #1: 2-methylpropiophenone With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.5h; Schlenk technique; Inert atmosphere; Stage #2: tert-butyl 1,4-dioxo-1,4-dihydro-3H-benzo[d][1,2]oxazine-3-carboxylate In tetrahydrofuran at -78℃; for 1h; Schlenk technique; Inert atmosphere; stereoselective reaction;	A 26% B 32%

...Expand

: 50-00-0
formaldehyd

: 2040-14-4
2-methylpropiophenone

: 506-59-2
N,N-dimethylammonium chloride

: 2523-03-7
3-dimethylamino-2-methyl-1-o-tolyl-propan-1-one

Conditions

Conditions	Yield
With hydrogenchloride; ethanol

...Expand

: 622-33-3
N-benzyloxyamine

: 2040-14-4
2-methylpropiophenone

: 1-o-tolyl-propan-1-one-(O-benzyl oxime )

Conditions

Conditions	Yield
With ethanol
With benzene

: 2040-14-4
2-methylpropiophenone

: 1074-17-5
1-Methyl-2-propylbenzene

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc

: 2040-14-4
2-methylpropiophenone

: 5337-93-9
4'-methylpropiophenone

Conditions

Conditions	Yield
With aluminium trichloride at 170℃;

: 2040-14-4
2-methylpropiophenone

: 40685-23-2
1-o-tolyl-propan-1-one semicarbazone

: 2040-14-4
2-methylpropiophenone

: 1-o-tolyl-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With sodium amide; benzene Behandeln des Reaktionsgemisches mit Isoamylnitrit unter Kuehlung;
With hydrogenchloride; n-Butyl nitrite

: 2040-14-4
2-methylpropiophenone

: 75-07-0
acetaldehyde

: (E)-2-methyl-1-(2-methylphenyl)but-2-en-1-one

Conditions

Conditions	Yield
With hydrogenchloride at 0℃;

1-(2-Methylphenyl)propan-1-one Specification

The CAS register number of 1-(2-Methylphenyl)propan-1-one is 2040-14-4. It also can be called as 1-o-Tolylpropan-1-one and the IUPAC name about this chemical is 1-(2-methylphenyl)propan-1-one.

Physical properties about 1-(2-Methylphenyl)propan-1-one are: (1)ACD/LogP: 2.66; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 17.07Å²; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 45.73 cm³; (7)Molar Volume: 153.7 cm³; (8)Polarizability: 18.13x10^-24cm³; (9)Surface Tension: 33.5 dyne/cm; (10)Enthalpy of Vaporization: 45.59 kJ/mol; (11)Boiling Point: 219.5 °C at 760 mmHg; (12)Vapour Pressure: 0.119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1C)CC
(2)InChI: InChI=1/C10H12O/c1-3-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
(3)InChIKey: VQHKICGSBBPFFJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H12O/c1-3-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
(5)Std. InChIKey: VQHKICGSBBPFFJ-UHFFFAOYSA-N

Product Name

ETHYL-O-TOLYL KETONE

Synthetic route

1-(2-Methylphenyl)propan-1-one Specification

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