2-Amino-3,5-dimethylbenzoic acid
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2-Amino-3,5-dimethylbenzoic acid
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CAS No:
14438-32-5
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Formula:
C9H11NO2
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Chemical Name:
2-Amino-3,5-dimethylbenzoic acid
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Synonyms:
3,5-DIMETHYLANTHRANILIC ACID;2-AMINO-3,5-DIMETHYLBENZOIC ACID;3,5-Dimethyl-2-Amino Benzoic Acid;2-Amino-3,5-dimethylbenzoic acid,98%;3,5-dimethyl-2-aminobenaoic acid;3,5-Dimethylanthranilic acid, 2-Carboxy-4,6-dimethylaniline, 4-Amino-5-carboxy-m-xylene;Benzoic acid, 2-amino-3,5-dimethyl-;2-Amino-3,5-dimethylbenzoic acid CAS
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CAS No:
2-Amino-3,5-dimethylbenzoic acid Basic Attributes
165.19
165.078979
1101785
90444
DTXSID80293534
29224985
Characteristics
63.3
2
1.1603 (rough estimate)
194-196 °C(lit.)
322°C
148.6±24.6 °C
1.5200 (estimate)
Safety Information
NONH for all modes of transport
3
36/37/38
26-37/39
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Amino-3,5-dimethylbenzoic acid Use and Manufacturing
General procedure: The syntheses of compounds 3a-3x were mainly referred to literature method [35]. A mixture of 1a-1q, 1w, 1x (2mmol), EDC'HCl (575mg, 3mmol), HOBt (446mg, 3.3mmol), NH4Cl (348mg, 6.5mmol) and DIPEA (2.3mL, 13mmol) in DMSO (7mL) was stirred at room temperature for 15h. The mixture was extracted with EtOAc three times, and the combined organic layers were washed with brine, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford 3a-3q, 3w, 3x. A mixture of 2r-2v (2mmol) and NH3·H2O (25-28wt%, 80mmol) in sealed tube was heated at 100C for 12h. The mixture was cooled to room temperature and extracted with EtOAc three times. The combined organic layers were washed with brine, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford 3r-3v.
Computed Properties
Molecular Weight:165.19
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:63.3
Heavy Atom Count:12
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2-Amino-3,5-dimethylbenzoic acid
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