4-Bromo-2-methyl-6-nitrobenzenamine
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4-Bromo-2-methyl-6-nitrobenzenamine
structure -
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CAS No:
77811-44-0
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Formula:
C7H7BrN2O2
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Chemical Name:
4-Bromo-2-methyl-6-nitrobenzenamine
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Synonyms:
Benzenamine,4-bromo-2-methyl-6-nitro-;4-Bromo-2-methyl-6-nitrobenzenamine;4-Bromo-2-methyl-6-nitroaniline;4-Bromo-2-methyl-6-nitrophenylamine;4-Bromo-6-methyl-2-nitroaniline
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CAS No:
4-Bromo-2-methyl-6-nitrobenzenamine Basic Attributes
231.05
231.05
3530524
616-508-6
DTXSID50335036
29214200
Characteristics
71.8
2.7
WHITE TO YELLOW TO BROWN POWDER CRYSTALS
1.7±0.1 g/cm3
143-147 °C
326.8ºC at 760 mmHg
151.4±26.5 °C
1.649
Slightly soluble in water and soluble in hot methanol.
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-20/21/22
26-36/37
Xi,Xn
Harmful
P261-P280-P305 + P351 + P338
H312-H315-H319-H332-H335
|Warning|H302 (13.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2-methyl-6-nitrobenzenamine Use and Manufacturing
Starting material 20a (1.00 g, 4.32 mmol) was dissolved in 15 mL of AcOH.An aqueous solution (2 mL) of sodium nitrite (0.66 mg, 9.52 mmol) was added at 0 C.After the addition, rt was stirred for 6 hours.The TLC monitors the reaction of the starting material completely, spins the reaction solution, extracts, and the crude product is purified by column chromatography.An orange powder compound 20b (0.5 mg, 2.07 mmol) was obtained in a yield: 47.7%.Starting material 10 (1.00 g, 4.32 mmol) was dissolved in 15 mL of AcOH. An aqueous solution (2 mL) of sodium nitrite (0.66 mg, 9.52 mmol) was added at 0 C. After the addition, rt was stirred for 6 hours. TLC monitors the reaction of the starting material completely, spins the reaction solution, and extracts. The crude product was purified by column chromatography. Obtained an orange powder compound 2 (0.5 mg, 2.07 mmol), Yield: 47.7%.Starting material 10 (1.00 g, 4.32 mmol) was dissolved in 15 mL of AcOH.An aqueous solution (2 mL) of sodium nitrite (0.66 mg, 9.52 mmol) was added at 0 C. After the addition, rt was stirred for 6 hours.The reaction of the starting material was completed by TLC, and the reaction mixture was evaporated to dryness, and the crude product was purified by column chromatography to afford compound (0.5 mg, 2.07 mmol), yield: 47.7%.Example 7 N4 -(5-Cyclopropyl-lH-pyrazol-3-yl)- N2 -((7-methyl-lH-benzo[d]imidazol-5-yl)methyl)-pyrimidine-2, 4- diamine (1-26) step 1 : To a suspension of 5-Bromo-3-methyl-benzene-1, 2-diamine: To a suspension of To a suspension of a 5-Bromo-2.3-diamino-toluene A solution of 15 g (64.9 mmol) of Example 4 1- (2-Cyclopropyl-l, 4-dimethyl-lH-benzimidazol-6-yl ) -4- ( (4- fluorobenzyl) oxy) pyridin-2 ( 1H) -one A) 5-Bromo-3-methylbenzene-l, 2-diamine To a stirred solution of compound 4-bromo-2-methyl-6- nitroaniline (5.0 g) in EtOH (85 ml) and water (43 ml) were added iron powder (6.0 g) and CaCl2 (4.8 g) at room temperature and the resulting reaction mixture was then heated at reflux for 4 h. The mixture was then cooled to room temperature, filtered through Celite, and washed with EtOH. The filtrate ' was concentrated and the resulting residue was diluted with DCM. The DCM layer was successively washed with water and brine, dried over Na2S04 and concentrated in vacuo to give the title compound (4.0 g) as a dark brown solid. MS (ESI+) : [M+H]+ 201.2.a 5-Bromo-2, 3-diaminotoluene A solution of 15 g (64.9 mmol) of Celite powder (38.0 g) and iron powder (27.6 g) wereadded to a mixture of
Computed Properties
Molecular Weight:231.05
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:229.96909
Monoisotopic Mass:229.96909
Topological Polar Surface Area:71.8
Heavy Atom Count:12
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Bromo-2-methyl-6-nitrobenzenamine
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