3-AMINO-1,1'-BIPHENYL-4-CARBOXYLICACID
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3-AMINO-1,1'-BIPHENYL-4-CARBOXYLICACID
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CAS No:
4445-43-6
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Formula:
C13H11NO2
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Chemical Name:
3-AMINO-1,1'-BIPHENYL-4-CARBOXYLICACID
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Synonyms:
3-Amino-1,1"-biphenyl-4-carboxylic acid;2-amino-4-phenylbenzoic acid;3-Amino-[1,1"-biphenyl]-4-carboxylic acid;[1,1"-Biphenyl]-4-carboxylicacid, 3-amino-;CBDivE_011184;3-AMINO-1,1-BIPHENYL-4-CARBOXYLIC ACID;3-AMINO-1,1-BIPHENYL-4-CARBOXYLICACID;[1,1"-Biphenyl]-4-carboxylic acid, 3-amino-;Oprea1_008990;SCHEMBL2575452
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CAS No:
3-AMINO-1,1'-BIPHENYL-4-CARBOXYLICACID Use and Manufacturing
2. i. 3 -amino- [ 1, 1 '-biphenylj -4-carboxylic acid:2. i. 3 -amino- [ 1, 1 '-biphenylj -4-carboxylic acid:2. i. 3 -amino- [ 1, 1 '-biphenylj -4-carboxylic acid:To a mixture of 2-amino-4-bromobenzoic acid (0.992 g; 4.46 mmol), phenylboronic acid (0.832 g; 6.69 mmol) and Pd(PPh3)4 (0.052 g; 0.045 mmol) under nitrogen was added degassed DMF (10 mL) and aq. M K2C03 (7 mL). The resulting mixture was stirred at 80°C for 16 h. DMF was removed under reduced pressure. The residue was taken up in 4N NaOH (40 mL) and the aq. phase was washed twice with EA (2 x 50 mL). The pH of the aq. layer was adjusted to 5 by addition of 4N HC1. The aq. phase was extracted three times with EA (3 x 50 mL) and once with DCM-MeOH 9-1 (50 mL). The combined org. layers were dried over MgS04 and evaporated under reduced pressure to give a beige solid. It was triturated in Et20, filtered and dried to give the title compound as a beige solid (0.721 g; 76percent yield). MS (ESI, m/z): 214.3 [M+H+] for Ci3HnN02; tR = 0.78 min.
Computed Properties
Molecular Weight:213.23
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:213.078978594
Monoisotopic Mass:213.078978594
Topological Polar Surface Area:63.3
Heavy Atom Count:16
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-AMINO-1,1'-BIPHENYL-4-CARBOXYLICACID
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