2-AMINO-5-BROMO-N,N DIMETHYL BENZAMIDE
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2-AMINO-5-BROMO-N,N DIMETHYL BENZAMIDE
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CAS No:
139253-79-5
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Formula:
C9H11BrN2O
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Chemical Name:
2-AMINO-5-BROMO-N,N DIMETHYL BENZAMIDE
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Synonyms:
2-Amino-5-bromo-N,N-dimethylbenzamide;N,N-Dimethyl 2-amino-5-bromobenzamide;2-AMINO-5-BROMO-N,N DIMETHYL BENZAMIDE;SCHEMBL1516638;CTK8B7688;DTXSID80679536;ACT09373;6752AA;ANW-58205;ZINC67796628
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CAS No:
2-AMINO-5-BROMO-N,N DIMETHYL BENZAMIDE Basic Attributes
243.10044
242.005463
DTXSID80679536
2924299090
2-AMINO-5-BROMO-N,N DIMETHYL BENZAMIDE Use and Manufacturing
Step 2: Synthesis of 2-Amino-5-[3-(2-methoxy-phenyl)-1H-pyrrolo[2, 3-b]pyridin-5-yl]-N, N-dimethyl-benzamide Into a 5 mL Personal Chemistry microwave reaction vial were added 3-(2-methoxy-phenyl)-5-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2, 3-b]pyridine (0.167 g, 0.331 mmol), Step 1: Synthesis of 2-Amino-5-bromo-N, N-dimethyl-benzamide Into an 15 m]L high pressure glass vial (with Teflon screw cap) were added 5-bromoisatoic anhydride (0.401 g, 1.66 mmol), DMAP (20 mg, 0.16 mmol), and dimethylamine (2 M in THF; 5.0 mL, 10.0 mmol). The vial was sealed and placed in an oil bath at 70 C. for 8 h after which it was concentrated under vacuum. The crude product was dissolved in EtOAc and washed 2* with water followed by brine. The organic phase was dried (Na2SO4), filtered and concentrated to afford 0.428 g of 2-Amino-5-bromo-N, N-dimethyl-benzamide as a pink solid, which was used directly for the next step. 1H-NMR (500 MHz, d6-DMSO) delta=7.19 (dd, J=2.0, 8.5 Hz, 1H), 7.08 (d, J=2.0 Hz, 1H), 6.63(d, J=8.5 Hz, 1H), 5.31(br. s, 2H), 2.89(br. s, 6H). MS: m/z 198/200 [C=O+].
Computed Properties
Molecular Weight:243.10
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:242.00548
Monoisotopic Mass:242.00548
Topological Polar Surface Area:46.3
Heavy Atom Count:13
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-AMINO-5-BROMO-N,N DIMETHYL BENZAMIDE
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