2,2-Dimethyl-3-phenylpropanoic acid
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2,2-Dimethyl-3-phenylpropanoic acid
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CAS No:
5669-14-7
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Formula:
C11H14O2
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Chemical Name:
2,2-Dimethyl-3-phenylpropanoic acid
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Synonyms:
Benzenepropanoic acid,α,α-dimethyl-;Hydrocinnamic acid,α,α-dimethyl-;α,α-Dimethylbenzenepropanoic acid;Benzyldimethylacetic acid;α,α-Dimethylhydrocinnamic acid;2,2-Dimethyl-3-phenylpropionic acid;2,2-Dimethyl-3-phenylpropanoic acid
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CAS No:
Characteristics
37.3
2.6
1.070±0.06 g/cm3(Predicted)
59-60 °C @ Solvent: Ligroine
200 °C @ Press: 1.5 Torr
2,2-Dimethyl-3-phenylpropanoic acid Use and Manufacturing
Synthesis of 2, 2-dimethyl-3-phenylpropanoic acid Step 1 Stage 2 2, 2-dimethyl-3-phenylpropanoic acid 2, 2-dimethyl-3-phenylpropanoic acid (b) alpha, alpha-dimethyldihydrocinnamic acid, M.P. 58.5°-59.5°.General procedure: Under the air atmosphere, the weigh 2-(3-phenylpropionamido)- pyridine-1-oxide (0.2 mmol), Sodium hydroxide 120mg(3 mmol), was placed in 10 mL of Shrek tube then 1 mL of anhydrous ethanol was added and reacted at 90 ° C for 24h. After completion of the reaction, the mixture was cooled to room temperature, 30 mL of a mol / L dilute hydrochloric acid solution was added, and extracted with 30 mL (3 x 10 mL) of dichloromethane. The organic phases were combined, dried over anhydrous sodium sulfate, filtered, and the solvent was removed by distillation under reduced pressure. The resulting material was separated and purified by column chromatography (eluent: dichloromethane: methanol = 1: 10) to give pure Phenylpropionic acid 23.8 mg, 80percent;
Computed Properties
Molecular Weight:178.23
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,2-Dimethyl-3-phenylpropanoic acid
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