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| CAS No.: | 606-28-0 |
|---|---|
| Name: | Benzoic acid,2-benzoyl-, methyl ester |
| Article Data: | 49 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| 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: |
 N
|
| Risk Codes: | 50/53 |
| Safety: | 60-61 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 43.37000 |
| LogP: | 2.70420 |
| Conditions | Yield |
|---|---|
| With methanesulfonic acid In toluene for 6h; Reflux; | 99.2% |
| Conditions | Yield |
|---|---|
| With copper quinolate In water; dimethyl sulfoxide at 120℃; for 24h; | 98% |
carbon monoxide
o-iodo-methyl-benzoic acid
triphenylbismuthane
methyl o-benzoylbenzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In water; N,N-dimethyl-formamide at 80℃; under 760.051 Torr; for 5h; Green chemistry; | 87% |
| 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% |
methyl o-benzoylbenzoate
| Conditions | Yield |
|---|---|
| With sodium methylate; potassium iodide In methanol at 20℃; Electrochemical reaction; | 82% |
| 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 |
| 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; |
o-iodo-methyl-benzoic acid
molybdenum hexacarbonyl
phenylboronic acid
methyl o-benzoylbenzoate
| 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% |
3-methoxy-3-phenyl-phthalide
A
methyl o-benzoylbenzoate
B
9,10-phenanthrenequinone
| Conditions | Yield |
|---|---|
| With aluminium trichloride In nitromethane at 80℃; for 5h; | A 8% B 65% |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; palladium diacetate; silver(l) oxide In water at 120℃; Reagent/catalyst; Schlenk technique; Inert atmosphere; | 64% |
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Molecular Structure of Benzoic acid,2-benzoyl-, methyl ester (CAS NO.606-28-0):
.gif)
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 Information of Benzoic acid,2-benzoyl-, methyl ester (CAS NO.606-28-0):
Hazard Codes: 
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
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) .
