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CAS No.: | 50372-61-7 |
---|---|
Name: | 2,3-Dibromo-5-benzoylpyrrole |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H7Br2NO |
Molecular Weight: | 328.991 |
Synonyms: | (4,5-Dibromo-1H-pyrrol-2-yl)(phenyl)methanone;2,3-Dibromo-5-benzoylpyrrole;4,5-Dibromo-2-benzoylpyrrole; |
Density: | 1.846 g/cm3 |
Boiling Point: | 430.963 °C at 760 mmHg |
Flash Point: | 214.439 °C |
PSA: | 32.86000 |
LogP: | 3.77070 |
phenyl(1H-pyrrol-2-yl)methanone
2,3-dibromo-5-benzoylpyrrole
Conditions | Yield |
---|---|
With copper(ll) bromide In acetonitrile for 48h; Ambient temperature; | 85% |
With bromine In dichloromethane 0 deg C to RT, 2.5 h; | 77% |
With bromine In dichloromethane | 76.5% |
cycl-isopropylidene cyclopropane-1,1-dicarboxylate
2,3-dibromo-5-benzoylpyrrole
C19H16Br2NO5(1-)*Na(1+)
Conditions | Yield |
---|---|
With sodium hydride 1.) DMF, RT, 1 h, 2.) 75-80 deg C, 4 h; Multistep reaction; |
2,3-dibromo-5-benzoylpyrrole
Ketorolac
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 1.) NaH / 1.) DMF, RT, 1 h, 2.) 75-80 deg C, 4 h 2: HCl / 5 h / 0 deg C to RT 4: magnesium oxide, H2 / 5percent Pd/C / H2O; methanol / 2 h / 760 Torr / Ambient temperature View Scheme |
2,3-dibromo-5-benzoylpyrrole
5-benzoyl-7-bromo-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 1.) NaH / 1.) DMF, RT, 1 h, 2.) 75-80 deg C, 4 h 2: HCl / 5 h / 0 deg C to RT View Scheme |
2,3-dibromo-5-benzoylpyrrole
methyl 5-benzoyl-7-bromo-1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole-1-carboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 1.) NaH / 1.) DMF, RT, 1 h, 2.) 75-80 deg C, 4 h 2: HCl / 5 h / 0 deg C to RT 3: 1.) NaH / 1.) DMF, 20 min, 2.) 75 deg C, 1.5 h View Scheme |
2,3-dibromo-5-benzoylpyrrole
dimethyl 5-benzoyl-7-bromo-1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole-1,1-dicarboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 1.) NaH / 1.) DMF, RT, 1 h, 2.) 75-80 deg C, 4 h 2: HCl / 5 h / 0 deg C to RT 3: 1.) NaH / 1.) DMF, 20 min, 2.) 75 deg C, 1.5 h View Scheme |
2,3-dibromo-5-benzoylpyrrole
dimethyl[2-(2,3-dibromo-5-benzoylpyrrol-1-yl)ethyl]malonate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1.) NaH / 1.) DMF, RT, 1 h, 2.) 75-80 deg C, 4 h 2: HCl / 5 h / 0 deg C to RT View Scheme |
2,3-dibromo-5-benzoylpyrrole
dimethyl[2-(2,3-dibromo-5-benzoylpyrrol-1-yl)ethyl]malonate
Conditions | Yield |
---|---|
With hydrogenchloride In N-methyl-acetamide; methanol; diethyl ether; mineral oil |
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The 2,3-Dibromo-5-benzoylpyrrole is an organic compound with the formula C11H7Br2NO. The systematic name of this product is (4,5-dibromo-1H-pyrrol-2-yl)(phenyl)methanone. With the CAS registry number 50372-61-7, it is also named as methanone, (4,5-dibromo-1H-pyrrol-2-yl)phenyl-. The price of this product changes with the market.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 281; (6)ACD/BCF (pH 7.4): 281; (7)ACD/KOC (pH 5.5): 1968; (8)ACD/KOC (pH 7.4): 1968; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 65.859 cm3; (14)Molar Volume: 178.24 cm3; (15)Polarizability: 26.109×10-24 cm3; (16)Surface Tension: 55.962 dyne/cm; (17)Enthalpy of Vaporization: 68.651 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C(c1cc(Br)c(Br)n1)c2ccccc2;
2. InChI: InChI=1/C11H7Br2NO/c12-8-6-9(14-11(8)13)10(15)7-4-2-1-3-5-7/h1-6,14H.