2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
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2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
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CAS No:
127958-10-5
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Formula:
C12H10N2O2
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Chemical Name:
2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
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Synonyms:
2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID;2-methyl-4-phenyl-5-pyrimidinecarboxylic acid(SALTDATA: FREE);2-Methyl-4-phenylpyriMidin-5-carboxylic acid;5-Carboxy-2-methyl-4-phenylpyrimidine, 5-Carboxy-2-methyl-4-phenyl-1,3-diazine;CC 20101;SDCCGMLS-0066023.P001;5-Pyrimidinecarboxylic acid, 2-methyl-4-phenyl-
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CAS No:
2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID Basic Attributes
214.22
214.074234
DTXSID50380142
2933599090
Characteristics
63.1
1.8
1.260±0.06 g/cm3(Predicted)
216-217
375.2±22.0 °C(Predicted)
180.7±22.3 °C
1.608
2.69E-06mmHg at 25°C
2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID Use and Manufacturing
To a mixture of A-14 (135 mg, 0.63 mmol), B-1 (150 mg, 0.53 mmol) and DIPEA (273 mu, 1 .60 mmol) in dry ACN (2.0 mL) is added CIP (191 mg, 0.68 mmol) and the mixture is stirred at RT for 2 days. ACN/H20 is added and the mixture is purified by prep. HPLC-MS (using a solvent gradient H20/ACN with NH4OH) to afford 133 mg of Example 17. ESI-MS: 445 [M+Na]+; HPLC (Rt): 1 .04 min (method G).Step A: tert-Butyl (2-methyl-4-phenylpyrimidin-5-yl)carbamate To a suspension of To a suspension of Example 188 N-[(2r, 5s)-5-hydroxyadamantan-2-yl]-2-methyl-4-phenylpyrimidine-5-carboxamide O-(7-Azabenzotriazol-1-yl)-N, N, N', N'-tetramethyluronium hexafluorophosphate (456 mg, 1.2 mmol) was added in one portion to Prepared from Intermediate 132 by the same process used for Intermediate 29; 1H NMR (400.13 MHz, DMSO-d6) delta 2.71 (3H, s), 7.45-7.53 (3H, m), 7.58-7.63 (2H, m), 8.98 (1H, s), 13.44 (1H, s) m/z (ESI+) (M+H)+=215; HPLC tR=1.19 min.EXAMPLE 168 2-methyl-5-[(2-methyl-1-pyrrolidinyl)carbonyl]-4-phenylpyrimidine The desired product can be prepared by substituting
Computed Properties
Molecular Weight:214.22
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:214.074227566
Monoisotopic Mass:214.074227566
Topological Polar Surface Area:63.1
Heavy Atom Count:16
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-METHYL-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
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