Methyl 2-benzoylbenzoate supplier

Name
Methyl 2-benzoylbenzoate
EINECS 210-112-3
CAS No. 606-28-0
Article Data49
CAS DataBase
Density 1.169 g/cm³
Solubility 117.7mg/L at 20℃
Melting Point 48-53 °C(lit.)
Formula C₁₅H₁₂O₃
Boiling Point 351.5 °C at 760 mmHg
Molecular Weight 240.258
Flash Point 154.4 °C
Transport Information UN 3077 9/PG 3
Appearance Solid.
Safety 60-61
Risk Codes 50/53
Molecular Structure
Hazard Symbols N
Synonyms Benzoicacid, o-benzoyl-, methyl ester (6CI,7CI,8CI);Initiator 1056;Methyl o-benzoylbenzoate;NSC 3797;OBM 100;Speedcure MBB;o-(Methoxycarbonyl)benzophenone;
PSA 43.37000
LogP 2.70420

Synthetic route

: 7335-63-9
3-methoxy-3-phenyl-phthalide

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With methanesulfonic acid In toluene for 6h; Reflux;	99.2%

: 75-91-2
tert.-butylhydroperoxide

: 85-52-9
2-Benzoylbenzoic acid

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With copper quinolate In water; dimethyl sulfoxide at 120℃; for 24h;	98%

: 201230-82-2
carbon monoxide

: 610-97-9
o-iodo-methyl-benzoic acid

: 603-33-8
triphenylbismuthane

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With potassium carbonate In water; N,N-dimethyl-formamide at 80℃; under 760.051 Torr; for 5h; Green chemistry;	87%

...Expand

: 420-37-1
trimethoxonium tetrafluoroborate

: N,N-bis(methylethyl)[2-(phenylcarbonyl)phenyl]carboxamide

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
Stage #1: trimethoxonium tetrafluoroborate; N,N-bis(methylethyl)[2-(phenylcarbonyl)phenyl]carboxamide With disodium hydrogenphosphate In acetonitrile at 20℃; Methylation; Stage #2: With sodium hydrogencarbonate for 18h; Hydrolysis;	84%

: 2-(hydroxy-phenyl-methyl)-benzoic acid methyl ester

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With sodium methylate; potassium iodide In methanol at 20℃; Electrochemical reaction;	82%

: 85-52-9
2-Benzoylbenzoic acid

: 74-88-4
methyl iodide

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Inert atmosphere; Schlenk technique;	75%
With sodium hydrogencarbonate In N,N-dimethyl-formamide Ambient temperature;	6.2 g

: 610-97-9
o-iodo-methyl-benzoic acid

: 100-52-7
benzaldehyde

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; palladium diacetate; silver(l) oxide In water at 120℃; for 12h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Schlenk technique;	74%
With tert.-butylhydroperoxide; palladium diacetate; silver(l) oxide In water at 120℃; for 14h; Inert atmosphere;

: 610-97-9
o-iodo-methyl-benzoic acid

: 13939-06-5, 199620-15-0
molybdenum hexacarbonyl

: 98-80-6
phenylboronic acid

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With C35H20F34NO3(1-)Pd(2+)Cl(1-); N-ethyl-N,N-diisopropylamine In water at 140℃; for 0.2h; Catalytic behavior; Reagent/catalyst; Concentration; Temperature; Microwave irradiation;	73%
With palladium diacetate; potassium carbonate In methoxybenzene at 140℃; for 12h; Suzuki coupling;	60%

...Expand

: 7335-63-9
3-methoxy-3-phenyl-phthalide

A: 606-28-0
methyl o-benzoylbenzoate

B: 84-65-1
9,10-phenanthrenequinone

Conditions

Conditions	Yield
With aluminium trichloride In nitromethane at 80℃; for 5h;	A 8% B 65%

: 610-97-9
o-iodo-methyl-benzoic acid

: 100-51-6
benzyl alcohol

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; palladium diacetate; silver(l) oxide In water at 120℃; Reagent/catalyst; Schlenk technique; Inert atmosphere;	64%

: 610-94-6
2-bromobenzoic acid methyl ester

: 611-73-4
Benzoylformic acid

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With (1,2-dimethoxyethane)dichloronickel(II); 2-Chlorothioxanthone; lithium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine In water; N,N-dimethyl-formamide for 24h; Inert atmosphere; Irradiation; Green chemistry;	49%

: 74542-54-4
N,N-phenyl-p-toluenesulfonylbenzamide

: 374538-03-1
2-methoxycarbonylphenylboronic acid

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; potassium carbonate; tricyclohexylphosphine In 1,4-dioxane at 110℃; for 12h; Suzuki Coupling; Inert atmosphere; Schlenk technique;	37%

: 186581-53-3, 908094-01-9
diazomethane

: 85-52-9
2-Benzoylbenzoic acid

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With ethanol
With diethyl ether

: 67-56-1
methanol

: 85-52-9
2-Benzoylbenzoic acid

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With sulfuric acid
With hydrogenchloride
With hydrogen cation
With sulfuric acid for 3h; Heating;

: 67-56-1
methanol

: 85-52-9
2-Benzoylbenzoic acid

A: 606-28-0
methyl o-benzoylbenzoate

B: 7335-63-9
3-methoxy-3-phenyl-phthalide

...Expand

: 67-56-1
methanol

: 22103-85-1
2-benzoylbenzoyl chloride

: 606-28-0
methyl o-benzoylbenzoate

: 131-11-3
phthalic acid dimethyl ester

: phenylmagnesium bromide

: 606-28-0
methyl o-benzoylbenzoate

: 131-11-3
phthalic acid dimethyl ester

: phenylmagnesium bromide

A: 606-28-0
methyl o-benzoylbenzoate

B: 1159-86-0
o-dibenzoylbenzene

Conditions

Conditions	Yield
je nach Bedingungen;

...Expand

: 67-56-1
methanol

: 7335-63-9
3-methoxy-3-phenyl-phthalide

: 124-41-4
sodium methylate

: 606-28-0
methyl o-benzoylbenzoate

...Expand

: 4397-55-1
phthalic monoacid monomethyl ester chloride

: 71-43-2
benzene

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With aluminium trichloride at 10℃; anschl. Erhitzen auf 80grad;

: 110-89-4
piperidine

: 67-56-1
methanol

: 7499-46-9, 21090-19-7
3-p-menthan-3-yloxy-3-phenyl-phthalide

A: 606-28-0
methyl o-benzoylbenzoate

B: 2216-51-5
(-)-menthol

Conditions

Conditions	Yield
at 25 - 35℃; Rate constant; (-)(Ξ)-3-<(1R)-menthyloxy>-3-phenyl-phthalide;

...Expand

: 67-56-1
methanol

: 124-41-4
sodium methylate

: 7499-46-9, 21090-19-7
3-p-menthan-3-yloxy-3-phenyl-phthalide

A: 606-28-0
methyl o-benzoylbenzoate

B: 2216-51-5
(-)-menthol

Conditions

Conditions	Yield
at 15 - 35℃; Rate constant; (-)(Ξ)-3-<(1R)-menthyloxy>-3-phenyl-phthalide;

...Expand

: 67-56-1
methanol

: 109-73-9
N-butylamine

: 7499-46-9, 21090-19-7
3-p-menthan-3-yloxy-3-phenyl-phthalide

A: 606-28-0
methyl o-benzoylbenzoate

B: 2216-51-5
(-)-menthol

Conditions

Conditions	Yield
at 35℃; Rate constant; (-)(Ξ)-3-<(1R)-menthyloxy>-3-phenyl-phthalide;

...Expand

: 67-56-1
methanol

: 121-44-8
triethylamine

: 7499-46-9, 21090-19-7
3-p-menthan-3-yloxy-3-phenyl-phthalide

A: 606-28-0
methyl o-benzoylbenzoate

B: 2216-51-5
(-)-menthol

Conditions

Conditions	Yield
at 35℃; Rate constant; (-)(Ξ)-3-<(1R)-menthyloxy>-3-phenyl-phthalide;

...Expand

: 67-56-1
methanol

: 119-61-9
benzophenone

: 201230-82-2
carbon monoxide

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With trifluoroacetic acid; lithium chloride; palladium dichloride; thallium(III) trifluoroacetate 1.) 25 deg C, 4 days, 2.) room temperature, overnight; Yield given. Multistep reaction;

...Expand

: 124-41-4
sodium methylate

anhydride of/the/ 2-benzoyl-benzoic acid: anhydride of/the/ 2-benzoyl-benzoic acid

: 606-28-0
methyl o-benzoylbenzoate

pseudomethyl ester of/the/ 2-benzoyl-benzoic acid: pseudomethyl ester of/the/ 2-benzoyl-benzoic acid

: 606-28-0
methyl o-benzoylbenzoate

Conditions

Conditions	Yield
With methanol; thionyl chloride
With methanol; sulfuric acid

: 74-88-4
methyl iodide

silver salt of/the/ 2-benzoyl-benzoic acid: silver salt of/the/ 2-benzoyl-benzoic acid

: 606-28-0
methyl o-benzoylbenzoate

: 77-78-1
dimethyl sulfate

sodium salt of/the/ 2-benzoyl-benzoic acid: sodium salt of/the/ 2-benzoyl-benzoic acid

: 606-28-0
methyl o-benzoylbenzoate

: 107-10-8
propylamine

: 606-28-0
methyl o-benzoylbenzoate

: 27687-35-0
3-hydroxy-3-phenyl-2-propyl-2,3-dihydroisoindol-1-one

Conditions

Conditions	Yield
In toluene for 15h; Heating;	100%

: 606-28-0
methyl o-benzoylbenzoate

: 1663-39-4
tert-Butyl acrylate

: tert-butyl 3-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl) propanoate

Conditions

Conditions	Yield
With zinc/copper couple; ammonia; water In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; chemoselective reaction;	99%

: 606-28-0
methyl o-benzoylbenzoate

: 107-13-1
acrylonitrile

: 101600-69-5
3-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)propanenitrile

Conditions

Conditions	Yield
With ammonia; water; zinc In acetonitrile at 20℃; under 760.051 Torr; Reagent/catalyst; Solvent; Temperature; chemoselective reaction;	99%

: 606-28-0
methyl o-benzoylbenzoate

: 7677-24-9
trimethylsilyl cyanide

: 3-cyano-3-phenylisobenzofuran-1(3H)-one

Conditions

Conditions	Yield
Stage #1: trimethylsilyl cyanide With diethylaluminium chloride In hexane at 20℃; for 0.5h; Stage #2: methyl o-benzoylbenzoate In hexane; dichloromethane at 0℃; for 1h;	97%

: 606-28-0
methyl o-benzoylbenzoate

: 5398-11-8, 78772-69-7, 87481-14-9, 87481-13-8
(S)-3-phenyl-1,3-dihydro-2-benzofuran-1-one

Conditions

Conditions	Yield
With [RuCl(benzene){(2,2,2',2'-tetramethyl[4,4'-bibenzo[d][1,3]dioxole]-5,5'-diyl)bis(diphenylphosphine)}]Cl; hydrogen In methanol at 50℃; under 30402 Torr; for 15h; Autoclave; enantioselective reaction;	95%
With C27H30Cl2CoN4; sodium triethylborohydride; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In tetrahydrofuran at 20℃; for 18h; Schlenk technique; Inert atmosphere; enantioselective reaction;	66%

: 606-28-0
methyl o-benzoylbenzoate

: 140-88-5
ethyl acrylate

: ethyl 3-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)propanoate

Conditions

Conditions	Yield
With ammonia; water; zinc In acetonitrile at 20℃; under 760.051 Torr; for 20h; chemoselective reaction;	93%

: 606-28-0
methyl o-benzoylbenzoate

: 1586-01-2
(2-hydroxymethylphenyl)phenylmethanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride	88%
With lithium aluminium tetrahydride In diethyl ether

: 606-28-0
methyl o-benzoylbenzoate

: 57-13-6
urea

: 835-18-7
3-phenyl-2,3-dihydro-isoindol-1-one

Conditions

Conditions	Yield
In formic acid at 180 - 190℃; for 20h;	88%

: 606-28-0
methyl o-benzoylbenzoate

: 292638-85-8
acrylic acid methyl ester

: methyl 3-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)propanoate

Conditions

Conditions	Yield
With ammonia; water; zinc In acetonitrile at 20℃; under 760.051 Torr; for 30h; chemoselective reaction;	88%

: 606-28-0
methyl o-benzoylbenzoate

: 64-04-0
phenethylamine

: 17416-55-6
2-(2-phenylethyl)-3-hydroxy-3-phenyl-2,3-dihydroisoindol-1-one

Conditions

Conditions	Yield
In toluene for 15h; Heating;	79%

: 606-28-0
methyl o-benzoylbenzoate

: 922-67-8
propynoic acid methyl ester

: methyl 3-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)propanoate

Conditions

Conditions	Yield
With ammonia; water; zinc In acetonitrile at 20℃; under 760.051 Torr; for 20h; chemoselective reaction;	76%

: 606-28-0
methyl o-benzoylbenzoate

: 96-31-1
N,N'-Dimethylurea

: 15836-66-5
2-methyl-3-phenyl-2,3-dihydro-1H-isoindol-1-one

Conditions

Conditions	Yield
In formic acid at 180 - 190℃; for 27h;	70%

: 606-28-0
methyl o-benzoylbenzoate

: 3034-19-3
(2-nitrophenyl)hydrazine

: 297132-08-2
2-methoxycarbonylbenzophenone 2'-nitrophenylhydrazone

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 22h; Condensation; Heating;	63%

: 606-28-0
methyl o-benzoylbenzoate

: 79-06-1
2-propenamide

A: 5398-11-8
3-phenylphthalide

B: 3-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)propanamide

Conditions

Conditions	Yield
With zinc/copper couple; ammonia; water In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; Solvent; Reagent/catalyst; chemoselective reaction;	A 30% B 62%

...Expand

: 606-28-0
methyl o-benzoylbenzoate

: 623-43-8, 4358-59-2, 18707-60-3, 130981-57-6
methyl crotonate

: methyl 3-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)butanoate

Conditions

Conditions	Yield
With zinc/copper couple; ammonia; water In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; chemoselective reaction;	56%

: 547-65-9
α-methylene-γ-butyrolactone

: 606-28-0
methyl o-benzoylbenzoate

: 3-((2-oxotetrahydrofuran-3-yl)methyl)-3-phenylisobenzofuran-1(3H)-one

Conditions

Conditions	Yield
With zinc/copper couple; ammonia; water In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; chemoselective reaction;	56%

: 606-28-0
methyl o-benzoylbenzoate

: 20451-53-0
Phenyl vinyl sulfoxide

: 3-phenyl-3-(2-(phenylsulfinyl)ethyl)isobenzofuran-1(3H)-one

Conditions

Conditions	Yield
With zinc/copper couple; ammonia; water In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; chemospecific reaction;	54%

: 606-28-0
methyl o-benzoylbenzoate

: 70775-39-2, 5367-24-8
dimethylsulfoxonium methylide

: 92439-00-4
4-phenyl-1H-2-benzopyran-1-one

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 50℃; for 1.5h;	52%

: 606-28-0
methyl o-benzoylbenzoate

: 3117-37-1
3-phenyl-3H-benzofuran-2-one

Conditions

Conditions	Yield
With chromium(III) chloride In N,N-dimethyl-formamide electrolysis;	51%

: 606-28-0
methyl o-benzoylbenzoate

: 1187-59-3
N-methylacrylamide

: N-methyl-3-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)propanamide

Conditions

Conditions	Yield
With zinc/copper couple; ammonia; water In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; chemoselective reaction;	49%

Methyl 2-benzoylbenzoate Chemical Properties

Molecular Structure of Benzoic acid,2-benzoyl-, methyl ester (CAS NO.606-28-0):

IUPAC Name: Methyl 2-benzoylbenzoate
Canonical SMILES: COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI: InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey: NQSMEZJWJJVYOI-UHFFFAOYSA-N
Molecular Weight: 240.25398 [g/mol]
Molecular Formula: C₁₅H₁₂O₃
XLogP3: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 3
EINECS: 210-112-3
Index of Refraction: 1.574
Molar Refractivity: 67.81 cm³
Molar Volume: 205.4 cm³
Surface Tension: 44.8 dyne/cm
Density: 1.169 g/cm³
Flash Point: 154.4 °C
Enthalpy of Vaporization: 59.63 kJ/mol
Boiling Point: 351.5 °C at 760 mmHg
Vapour Pressure: 4.08E-05 mmHg at 25 °C
Melting Point: 48-53 °C(lit.)
Water Solubility: 80 mg/L 25
Product Categories: Industrial / Fine Chemicals; FINE Chemical & INTERMEDIATES; Aromatic Esters; API intermediates; Functional Materials; Photopolymerization Initiators; C12 to C63; Carbonyl Compounds; Esters

Methyl 2-benzoylbenzoate Safety Profile

Safety Information of Benzoic acid,2-benzoyl-, methyl ester (CAS NO.606-28-0):
Hazard Codes: Dangerous N
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3

Methyl 2-benzoylbenzoate Specification

Benzoic acid,2-benzoyl-, methyl ester (CAS NO.606-28-0), its Synonyms are 2-Benzoylbenzoic acid, methyl ester ; Methyl 2-benzoylbenzoate ; Methyl o-benzoylbenzoate ; o-(Methoxycarbonyl)benzophenone ; Benzoic acid, o-benzoyl-, methyl ester (8CI) .

Product Name

Methyl 2-benzoylbenzoate

Synthetic route

Methyl 2-benzoylbenzoate Chemical Properties

Methyl 2-benzoylbenzoate Safety Profile

Methyl 2-benzoylbenzoate Specification

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