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Cas Database

Name	4,5-Dibromo-2-benzoylpyrrole	EINECS	N/A
CAS No.	50372-61-7	Density	1.846 g/cm³
PSA	32.86000	LogP	3.77070
Solubility	N/A	Melting Point	N/A
Formula	C₁₁H₇Br₂NO	Boiling Point	430.963 °C at 760 mmHg
Molecular Weight	328.991	Flash Point	214.439 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	(4,5-Dibromo-1H-pyrrol-2-yl)(phenyl)methanone;2,3-Dibromo-5-benzoylpyrrole;4,5-Dibromo-2-benzoylpyrrole;	Article Data	5

4,5-Dibromo-2-benzoylpyrrole Synthetic route

: 7697-46-3
phenyl(1H-pyrrol-2-yl)methanone

: 50372-61-7
2,3-dibromo-5-benzoylpyrrole

Conditions

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%

: 5617-70-9
cycl-isopropylidene cyclopropane-1,1-dicarboxylate

: 50372-61-7
2,3-dibromo-5-benzoylpyrrole

: 80965-17-9
C19H16Br2NO5(1-)*Na(1+)

Conditions

Conditions	Yield
With sodium hydride 1.) DMF, RT, 1 h, 2.) 75-80 deg C, 4 h; Multistep reaction;

: 50372-61-7
2,3-dibromo-5-benzoylpyrrole

: 74103-06-3
Ketorolac

Conditions

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

: 50372-61-7
2,3-dibromo-5-benzoylpyrrole

: 84023-60-9
5-benzoyl-7-bromo-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid

Conditions

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

: 50372-61-7
2,3-dibromo-5-benzoylpyrrole

: 80965-19-1
methyl 5-benzoyl-7-bromo-1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole-1-carboxylate

Conditions

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

: 50372-61-7
2,3-dibromo-5-benzoylpyrrole

: 80965-20-4
dimethyl 5-benzoyl-7-bromo-1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole-1,1-dicarboxylate

Conditions

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

: 50372-61-7
2,3-dibromo-5-benzoylpyrrole

: 80965-18-0
dimethyl[2-(2,3-dibromo-5-benzoylpyrrol-1-yl)ethyl]malonate

Conditions

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

spiro[2.5]-5,7-dioxa-6,6-dimethyloctane-4,8-dione: spiro[2.5]-5,7-dioxa-6,6-dimethyloctane-4,8-dione

flurosil: flurosil

: 50372-61-7
2,3-dibromo-5-benzoylpyrrole

: 80965-18-0
dimethyl[2-(2,3-dibromo-5-benzoylpyrrol-1-yl)ethyl]malonate

Conditions

Conditions	Yield
With hydrogenchloride In N-methyl-acetamide; methanol; diethyl ether; mineral oil

4,5-Dibromo-2-benzoylpyrrole Specification

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^-24cm³; (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.

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