4-AMino-3-iodo-5-Methoxy-benzoic acid Methyl ester
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4-AMino-3-iodo-5-Methoxy-benzoic acid Methyl ester
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CAS No:
180624-10-6
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Formula:
C9H10INO3
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Chemical Name:
4-AMino-3-iodo-5-Methoxy-benzoic acid Methyl ester
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Synonyms:
methyl 4-amino-3-iodo-5-methoxybenzoate;4-amino-3-iodo-5-methoxy-benzoic acid methyl ester;MFCD11111370;Benzoic acid, 4-amino-3-iodo-5-methoxy-, methyl ester;SCHEMBL15970899;DTXSID10445524;KS-00000RQ8;ZINC95635062;AKOS022172404;DS-5872
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CAS No:
4-AMino-3-iodo-5-Methoxy-benzoic acid Methyl ester Basic Attributes
307.08507
306.971
-0
DTXSID10445524
4-AMino-3-iodo-5-Methoxy-benzoic acid Methyl ester Use and Manufacturing
Methyl 3-iodo-4-amino-5-methoxybenzoate (1.0 g, 3.25 mmol) was dissolved in triethylamine (6 mL). 1, 1?-Bis(diphenylphosphino)ferrocene]dichloropalladium(II) (0.11 g, 0.16 mmol) and cuprous chloride (16 mg, 0.16 mmol) were added, and the mixture was cooled to 0 C. Trimethylsilylacetylene (0.55 mL, 3.9 mmol) was added dropwise. The mixture was warmed to RT and stirred for 1.5 h. The mixture was concentrated, then re-dissolved in EA, washed with brine, dried and concentrated. The crude material was purified by chromatography on silica gel (hexane:EA) to give 9-1 (0.27 g, 30%).
Computed Properties
Molecular Weight:307.08
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:306.97054
Monoisotopic Mass:306.97054
Topological Polar Surface Area:61.6
Heavy Atom Count:14
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-AMino-3-iodo-5-Methoxy-benzoic acid Methyl ester
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