Benzoic acid, 2-amino-4,5-dimethoxy-, methyl ester
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Benzoic acid, 2-amino-4,5-dimethoxy-, methyl ester
structure -
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CAS No:
26759-46-6
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Formula:
C10H13NO4
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Chemical Name:
Benzoic acid, 2-amino-4,5-dimethoxy-, methyl ester
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Synonyms:
Benzoic acid,2-amino-4,5-dimethoxy-,methyl ester;Veratric acid,6-amino-,methyl ester;Methyl 6-amino-3,4-dimethoxybenzoate;Methyl 4,5-dimethoxyanthranilate;Methyl 2-amino-4,5-dimethoxybenzoate;2-Amino-4,5-dimethoxybenzoic acid methyl ester;Methyl 6-aminoveratrate;4,5-Dimethoxyanthranilic acid methyl ester;2-Methoxycarbonyl-4,5-methoxyaniline
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CAS No:
Benzoic acid, 2-amino-4,5-dimethoxy-, methyl ester Basic Attributes
211.21
211.21
2724754
247-967-7
DTXSID60181268
2922509090
Characteristics
70.8
1.6
1.2±0.1 g/cm3
130 °C
343.1°C at 760 mmHg
166.2±22.8 °C
1.539
7.19E-05mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36-24/25-22
Xi
Irritant
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 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzoic acid, 2-amino-4,5-dimethoxy-, methyl ester Use and Manufacturing
1.9 g (7.2 mmol) of methyl 6-nitro-3, 4-trimethoxybenzoate and 0.2 g of palladium on carbon were added into a 100 mL round bottom flask and dissolved in 50 mL of methanol. Hydrogen was introduced and the mixture was stirred at room temperature for 24 h h, TLC detection reaction was completed, a brown solid was removed. Column chromatography (PE: ΕΑ = 10: 1, V / V) isolated and purified to give a white solid 1.51 g, yield 88.7percent, Ke point: 91-93CTo a stirred solution of SnCl
Organic synthesis intermediate.
Computed Properties
Molecular Weight:211.21
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:211.08445790
Monoisotopic Mass:211.08445790
Topological Polar Surface Area:70.8
Heavy Atom Count:15
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoic acid, 2-amino-4,5-dimethoxy-, methyl ester
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