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606-28-0

Basic Information
CAS No.: 606-28-0
Name: Benzoic acid,2-benzoyl-, methyl ester
Article Data: 49
Cas Database
Molecular Structure:
Molecular Structure of 606-28-0 (Benzoic acid,2-benzoyl-, methyl ester)
Formula: C15H12O3
Molecular Weight: 240.258
Synonyms: Benzoicacid, o-benzoyl-, methyl ester (6CI,7CI,8CI);Initiator 1056;Methyl o-benzoylbenzoate;NSC 3797;OBM 100;Speedcure MBB;o-(Methoxycarbonyl)benzophenone;
EINECS: 210-112-3
Density: 1.169 g/cm3
Melting Point: 48-53 °C(lit.)
Boiling Point: 351.5 °C at 760 mmHg
Flash Point: 154.4 °C
Solubility: N/A
Appearance: Solid.
Hazard Symbols: DangerousN
Risk Codes: 50/53
Safety: 60-61
Transport Information: UN 3077 9/PG 3
PSA: 43.37000
LogP: 2.70420
Synthetic route
7335-63-9

3-methoxy-3-phenyl-phthalide

606-28-0

methyl o-benzoylbenzoate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With potassium carbonate In water; N,N-dimethyl-formamide at 80℃; under 760.051 Torr; for 5h; Green chemistry;87%
420-37-1

trimethoxonium tetrafluoroborate

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

606-28-0

methyl o-benzoylbenzoate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%
7335-63-9

3-methoxy-3-phenyl-phthalide

A

606-28-0

methyl o-benzoylbenzoate

B

84-65-1

9,10-phenanthrenequinone

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

 

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

Safety Profile

Safety Information of Benzoic acid,2-benzoyl-, methyl ester (CAS NO.606-28-0):
Hazard Codes: DangerousN
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

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) .