4-BROMO-3-METHYL-BENZALDEHYDE
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4-BROMO-3-METHYL-BENZALDEHYDE
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CAS No:
78775-11-8
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Formula:
C8H7BrO
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Chemical Name:
4-BROMO-3-METHYL-BENZALDEHYDE
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Synonyms:
4-bromo-3-methylbenzaldehyde;4-bromo-3-methyl-benzaldehyde;BENZALDEHYDE, 4-BROMO-3-METHYL-;ACMC-209pf9;3-Methyl-4-bromobenzaldehyde;KSC497Q6R;4-Bromo-3-methyl benzaldehyde;SCHEMBL1788343;CTK3J7868;DTXSID00448403
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-BROMO-3-METHYL-BENZALDEHYDE Use and Manufacturing
Step 3: A thirteenth exemplary Intermediate D, Intermediate D-13, may be used to synthesize compounds of formula I, wherein R1 is aryl substituted with two R4 substituents. A mixture of 4- bromo-3-methyl-benzaldehyde (500 mg, 2.51 mmol, 1.00 equiv) and A, /V-dimethylamine (2 M in THF, 6.3 mL, 12.6 mmol, 5.00 equiv) in methanol (10.0 mL) was stirred at 40 C for 30 min. Subsequently, sodium triacetoxyborohydride (1.60 g, 7.54 mmol, 3.00 equiv) was added and the mixture was stirred for another 3 h. The solution was concentrated under reduced pressure to give a residue. The crude residue was purified by column chromatography (petroleum ether/ethyl acetate = 1/0 to 0/1 then dichloromethane/methanol = 20/1 to 10/1) to afford l-(4-bromo-3- m ethyl -phenyl )-A( L-di m eth y 1 -m eth an am i n e (570 mg) as a brown oil. 1H NMR (400MHz, CD3OD) d = 7.61 (d, J=8.0 Hz, 1H), 7.38 (d, .7=1.6 Hz, 1H), 7.16 (dd, .7=1.6, 8.0 Hz, 1H), 3.96 (s, 2H), 2.63 (s, 6H), 2.42 (s, 3H).To a solution of 2'-Ethyl-4'-(l, l, l, 3, 3, 3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-[l, -biphenyl]-4- carbaldehyde (Aldehyde Intermediate 11) was prepared by combining a mixture of 4-bromo-3- methylbenzaldehyde and Intermediate 2B, Pd(PPh3)4and Na2C03(2N solution) in l, 4-dioxane and water and heating at 90 C under nitrogen gas overnight.
Computed Properties
Molecular Weight:199.04
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:197.96803
Monoisotopic Mass:197.96803
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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