反応 #3859392
関連文献 (1)
openreactiondata ↗doi:10.1039/C8SC04228D
反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-478aebc205454312aed67f6565cc1e95表示可能な構造データがありません
CC1=CC(=CC(=C1C(=O)OC)C)O製品情報
methyl 4-hydroxy-2,6-dimethylbenzoate (CAS 708-31-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
想定用途
専門的研究・工業用途限定
データベース ID 13814116
安全上の注意
For professional research and industrial use only. Review the supplier safety data sheet before handling.
合成データ
10 反応 · 10 文献
反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-478aebc205454312aed67f6565cc1e95反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: The title compound was prepared in analogy to Example 4, intermediate, from 2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethanol (Ex. 1, int. c) and 4-hydroxy-2,6-dimethyl-benzoic acid methyl ester (commercially available) and replacing di-ethyl azodicarboxylate by di-tert-butyl azodicarboxylate. The resulting solid was purified by silica gel chromatography using a MPLC system (CombiFlash Companion, Isco Inc.) eluting with a gradient of n-heptane and ethyl acetate (100:0 to 60:40) to give the desired compound as a light yellow solid (12%). MS (Turbo Spray): m/z=553.3 [M+H]. The resulting solid was purified by silica gel chromatography eluting with a gradient of n-heptane and ethyl acetate (100:0 to 60:40)
ソース ID: ord-ab77dfdf6c0b4abe8a7b1539d3c154e6反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: By the same procedures as a series of Example 18 and Example 19 using the compound (121 mg) prepared in Example 16 and 2,6-dimethyl-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methoxy)benzoylchloride (211 mg) (the compound prepared by the same procedures as a series of Example 8→Example 9→Example 10 using methyl 4-hydroxy-2,6-dimethylbenzoate.), the title compound (132 mg) having the following physical data was obtained.
ソース ID: ord-2e689f2b61f04a0d8223024e551b79b7反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: By the same procedures as a series of Example 18 and Example 19 using the compound (121 mg) prepared in Example 16 and 2,6-dimethyl-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methoxy)benzoylchloride (211 mg) (the compound prepared by the same procedures as a series of Example 8→Example 9→Example 10 using methyl 4-hydroxy-2,6-dimethylbenzoate.), the title compound (132 mg) having the following physical data was obtained.
ソース ID: ord-2e689f2b61f04a0d8223024e551b79b7反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: The title compound was prepared in analogy to Example 4, intermediate, from 2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethanol (Ex. 1, int. c) and 4-hydroxy-2,6-dimethyl-benzoic acid methyl ester (commercially available) and replacing di-ethyl azodicarboxylate by di-tert-butyl azodicarboxylate. The resulting solid was purified by silica gel chromatography using a MPLC system (CombiFlash Companion, Isco Inc.) eluting with a gradient of n-heptane and ethyl acetate (100:0 to 60:40) to give the desired compound as a light yellow solid (12%). MS (Turbo Spray): m/z=553.3 [M+H]. The resulting solid was purified by silica gel chromatography eluting with a gradient of n-heptane and ethyl acetate (100:0 to 60:40)
ソース ID: ord-ab77dfdf6c0b4abe8a7b1539d3c154e6反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: The title compound was prepared in analogy to Example 4, intermediate, from 2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethanol (Ex. 1, int. c) and 4-hydroxy-2,6-dimethyl-benzoic acid methyl ester (commercially available) and replacing di-ethyl azodicarboxylate by di-tert-butyl azodicarboxylate. The resulting solid was purified by silica gel chromatography using a MPLC system (CombiFlash Companion, Isco Inc.) eluting with a gradient of n-heptane and ethyl acetate (100:0 to 60:40) to give the desired compound as a light yellow solid (12%). MS (Turbo Spray): m/z=553.3 [M+H]. The resulting solid was purified by silica gel chromatography eluting with a gradient of n-heptane and ethyl acetate (100:0 to 60:40)
ソース ID: ord-ab77dfdf6c0b4abe8a7b1539d3c154e6反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-478aebc205454312aed67f6565cc1e95反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: By the same procedures as a series of Example 18 and Example 19 using the compound (121 mg) prepared in Example 16 and 2,6-dimethyl-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methoxy)benzoylchloride (211 mg) (the compound prepared by the same procedures as a series of Example 8→Example 9→Example 10 using methyl 4-hydroxy-2,6-dimethylbenzoate.), the title compound (132 mg) having the following physical data was obtained.
ソース ID: ord-7bc11a30327645db880b57af0a97b19d反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: By the same procedures as a series of Example 18 and Example 19 using the compound (121 mg) prepared in Example 16 and 2,6-dimethyl-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methoxy)benzoylchloride (211 mg) (the compound prepared by the same procedures as a series of Example 8→Example 9→Example 10 using methyl 4-hydroxy-2,6-dimethylbenzoate.), the title compound (132 mg) having the following physical data was obtained.
ソース ID: ord-2e689f2b61f04a0d8223024e551b79b7反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: The title compound was prepared in analogy to Example 4, intermediate, from 2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethanol (Ex. 1, int. c) and 4-hydroxy-2,6-dimethyl-benzoic acid methyl ester (commercially available) and replacing di-ethyl azodicarboxylate by di-tert-butyl azodicarboxylate. The resulting solid was purified by silica gel chromatography using a MPLC system (CombiFlash Companion, Isco Inc.) eluting with a gradient of n-heptane and ethyl acetate (100:0 to 60:40) to give the desired compound as a light yellow solid (12%). MS (Turbo Spray): m/z=553.3 [M+H]. The resulting solid was purified by silica gel chromatography eluting with a gradient of n-heptane and ethyl acetate (100:0 to 60:40)
ソース ID: ord-ab77dfdf6c0b4abe8a7b1539d3c154e6PubChem References
化合物の公開データベース記録に掲載された情報源です。
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