tert-Butyl 4-aminobenzoate
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tert-Butyl 4-aminobenzoate
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CAS No:
18144-47-3
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Formula:
C11H15NO2
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Chemical Name:
tert-Butyl 4-aminobenzoate
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Synonyms:
TERT-BUTYL 4-AMINOBENZOATE;4-AMINOBENZOIC ACID TERT-BUTYL ESTER;BUTTPARK 14\02-67;tert-butyl 4-azanylbenzoate;tert-Butyl 4-aminobe;4-(tert-Butoxycarbonyl)aniline;H-4-Abz-OtBu(Tert-butyl 4-AMinobenzoate);Tert-Butyl p-aMinobenzoate
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CAS No:
tert-Butyl 4-aminobenzoate Basic Attributes
193.24
193.110275
1312995-182-4
31647
DTXSID00283457
29224999
Characteristics
52.3
2.1
1.078±0.06 g/cm3(Predicted)
108-110 °C
322.4±15.0 °C(Predicted)
173.6±17.9 °C
1.539
0.000279mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
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 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
tert-Butyl 4-aminobenzoate Use and Manufacturing
Tert-butyl 4-nitrobenzoate (27) (4.75 g, 21.279 mmol) was dissolved in MeOH (200 ml) and added with CAUTION was Pd/C (475 mg, 0.1 equiv. w/w) and the flask evacuated prior to purging with NA solution of t-butyl-4-nitrobenzoate (2.30 g; 0.0103 mol) in MeOH (100 mL) containing 5percent Pd/C (300 mg) was hydrogenated at 30 psi and room temperature for three hours. The catalyst was removed by filtration (celite pad), and the filtrate was concentrated in vacuo to give 1.9 g (90percent) of desired product suitable for further transformation. Additional reactions were carried out to give a total of .similar.4.2 g of similar material.
Structural unit for the synthesis of anti-folate
Computed Properties
Molecular Weight:193.24
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:193.110278721
Monoisotopic Mass:193.110278721
Topological Polar Surface Area:52.3
Heavy Atom Count:14
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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