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Cas Database

Name	Methyl 2-benzoylbenzoate	EINECS	210-112-3
CAS No.	606-28-0	Density	1.169 g/cm³
PSA	43.37000	LogP	2.70420
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;	Article Data	49

Methyl 2-benzoylbenzoate 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%

: 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%

: 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%

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) .

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