α-(2-Bromoethyl)-α-phenylbenzeneacetic acid
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α-(2-Bromoethyl)-α-phenylbenzeneacetic acid
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CAS No:
37742-98-6
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Formula:
C16H15BrO2
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Chemical Name:
α-(2-Bromoethyl)-α-phenylbenzeneacetic acid
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Synonyms:
Benzeneacetic acid,α-(2-bromoethyl)-α-phenyl-;α-(2-Bromoethyl)-α-phenylbenzeneacetic acid;4-Bromo-2,2-diphenylbutyric acid;4-Bromo-2,2-diphenylbutanoic acid
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CAS No:
α-(2-Bromoethyl)-α-phenylbenzeneacetic acid Basic Attributes
319.19
319.19
253-648-3
NA0ATV0SQD
DTXSID20191181
2916399090
Characteristics
37.3
3.84230
light yellow to yellow crystalline powder
1.406 g/cm3
131 °C (dec.)(lit.)
365.8ºC at 760 mmHg
175ºC
1.606
Refrigerator
Safety Information
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (97.67%): 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
α-(2-Bromoethyl)-α-phenylbenzeneacetic acid Use and Manufacturing
Brominated with benzylacetonitrile with bromine to produce α-bromobenzeneacetonitrile, which is then condensed with benzene with the participation of anhydrous aluminum trichloride to obtain diphenylacetonitrile, which is combined with ethylene oxide under the action of sodium amide The reaction produces 2, 2-diphenyl-γ-butyrolactone, and finally reacts with hydrogen bromide acetic acid solution at room temperature to obtain the product.
Loperamide intermediate.
Computed Properties
Molecular Weight:319.19
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:318.02554
Monoisotopic Mass:318.02554
Topological Polar Surface Area:37.3
Heavy Atom Count:19
Complexity:273
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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α-(2-Bromoethyl)-α-phenylbenzeneacetic acid
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