01
反応 #4067995
反応式
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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-b698f1e546dd4d51836eb86c444a95042D 化学構造データベース ID 23511694
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SMILES
CC(C)(C)OC(=O)N1CC(CC1C=O)(F)F——
製品情報
tert-butyl 4,4-difluoro-2-formylpyrrolidine-1-carboxylate
tert-butyl 4,4-difluoro-2-formylpyrrolidine-1-carboxylate (CAS 317357-15-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS番号317357-15-6
データベース ID23511694
分子式—
更新日2023-01-08
想定用途
想定用途
専門的研究・工業用途限定
データベース ID 23511694
計算物性
精密質量—
XLogP—
トポロジカル極性表面積—
水素結合供与体—
水素結合受容体—
回転可能結合—
- IUPAC 名
- —
- InChIKey
- —
- SMILES
- CC(C)(C)OC(=O)N1CC(CC1C=O)(F)F
- InChI
- —
安全上の注意
安全性と注記
For professional research and industrial use only. Review the supplier safety data sheet before handling.
合成データ
関連反応
8 反応 · 8 文献
02
反応 #3692734
反応式
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関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US06756378B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a stirred mixture of 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinylmethanol (2.11 g, 8.89 mmol), Et3N (6.2 ml, 44.5 mmol), DMSO (6.3 ml, 88.9 mmol) in CH2Cl2 (20 ml) was added SO3-pyridine (4.25 g, 26.7 mmol). After 3 h stirring, the mixture was concentrated in vacuo and diluted with Et2O (200 ml). The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml), dried over MgSO4, and concentrated in vacuo. The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent to give 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarbaldehyde (1.40 g, 67%) as a yellow oil. 1H-NMR (CDCl3) δ1.45-1.52 (m, 9 H), 2.49 (m, 2 H), 3.75-3.88 (m, 2 H), 4.29-4.42 (m, 1 H), 9.54 and 9.60 (s, each, total 1 H). the mixture was concentrated in vacuo diluted with Et2O (200 ml) The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml) dried over MgSO4 concentrated in vacuo The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent
ソース ID: ord-e5557662dca544ac8e5c4666f785495103
反応 #3688797
反応式
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+表示可能な構造データがありません
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表示可能な構造データがありません
関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US07179819B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a stirred mixture of 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinylmethanol (2.11 g, 8.89 mmol), Et3 N (6.2 ml, 44.5 mmol), DMSO (6.3 ml, 88.9 mmol) in CH2Cl2 (20 ml) was added SO3 pyridine (4.25 g, 26.7 mmol). After 3 h stirring, the mixture was concentrated in vacuo and diluted with Et2O (200 ml). The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml), dried over MgSO4, and concentrated in vacuo. The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent to give 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarbaldehyde (1.40 g, 67%) as a yellow oil. 1H-NMR (CDCl3) δ 1.45–1.52 (m, 9 H), 2.49 (m, 2 H), 3.75–3.88 (m, 2 H), 4.29–4.42 (m, 1 H), 9.54 and 9.60 (s, each, total 1 H). the mixture was concentrated in vacuo diluted with Et2O (200 ml) The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml) dried over MgSO4 concentrated in vacuo The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent
ソース ID: ord-9d04513045dc49d2a40be4e9ce361ca804
反応 #2708974
反応式
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+表示可能な構造データがありません
+表示可能な構造データがありません
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表示可能な構造データがありません
関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US06756378B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a stirred mixture of 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinylmethanol (2.11 g, 8.89 mmol), Et3N (6.2 ml, 44.5 mmol), DMSO (6.3 ml, 88.9 mmol) in CH2Cl2 (20 ml) was added SO3-pyridine (4.25 g, 26.7 mmol). After 3 h stirring, the mixture was concentrated in vacuo and diluted with Et2O (200 ml). The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml), dried over MgSO4, and concentrated in vacuo. The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent to give 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarbaldehyde (1.40 g, 67%) as a yellow oil. 1H-NMR (CDCl3) δ1.45-1.52 (m, 9 H), 2.49 (m, 2 H), 3.75-3.88 (m, 2 H), 4.29-4.42 (m, 1 H), 9.54 and 9.60 (s, each, total 1 H). the mixture was concentrated in vacuo diluted with Et2O (200 ml) The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml) dried over MgSO4 concentrated in vacuo The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent
ソース ID: ord-e5557662dca544ac8e5c4666f785495105
反応 #2703234
反応式
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+表示可能な構造データがありません
+表示可能な構造データがありません
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表示可能な構造データがありません
関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US07179819B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a stirred mixture of 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinylmethanol (2.11 g, 8.89 mmol), Et3 N (6.2 ml, 44.5 mmol), DMSO (6.3 ml, 88.9 mmol) in CH2Cl2 (20 ml) was added SO3 pyridine (4.25 g, 26.7 mmol). After 3 h stirring, the mixture was concentrated in vacuo and diluted with Et2O (200 ml). The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml), dried over MgSO4, and concentrated in vacuo. The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent to give 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarbaldehyde (1.40 g, 67%) as a yellow oil. 1H-NMR (CDCl3) δ 1.45–1.52 (m, 9 H), 2.49 (m, 2 H), 3.75–3.88 (m, 2 H), 4.29–4.42 (m, 1 H), 9.54 and 9.60 (s, each, total 1 H). the mixture was concentrated in vacuo diluted with Et2O (200 ml) The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml) dried over MgSO4 concentrated in vacuo The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent
ソース ID: ord-9d04513045dc49d2a40be4e9ce361ca806
反応 #2436408
反応式
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+表示可能な構造データがありません
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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-b698f1e546dd4d51836eb86c444a950407
反応 #250195
反応式
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+表示可能な構造データがありません
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表示可能な構造データがありません
関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US06756378B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a stirred mixture of 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinylmethanol (2.11 g, 8.89 mmol), Et3N (6.2 ml, 44.5 mmol), DMSO (6.3 ml, 88.9 mmol) in CH2Cl2 (20 ml) was added SO3-pyridine (4.25 g, 26.7 mmol). After 3 h stirring, the mixture was concentrated in vacuo and diluted with Et2O (200 ml). The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml), dried over MgSO4, and concentrated in vacuo. The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent to give 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarbaldehyde (1.40 g, 67%) as a yellow oil. 1H-NMR (CDCl3) δ1.45-1.52 (m, 9 H), 2.49 (m, 2 H), 3.75-3.88 (m, 2 H), 4.29-4.42 (m, 1 H), 9.54 and 9.60 (s, each, total 1 H). the mixture was concentrated in vacuo diluted with Et2O (200 ml) The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml) dried over MgSO4 concentrated in vacuo The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent
ソース ID: ord-e5557662dca544ac8e5c4666f785495108
反応 #246212
反応式
表示可能な構造データがありません
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表示可能な構造データがありません
関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US07179819B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a stirred mixture of 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinylmethanol (2.11 g, 8.89 mmol), Et3 N (6.2 ml, 44.5 mmol), DMSO (6.3 ml, 88.9 mmol) in CH2Cl2 (20 ml) was added SO3 pyridine (4.25 g, 26.7 mmol). After 3 h stirring, the mixture was concentrated in vacuo and diluted with Et2O (200 ml). The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml), dried over MgSO4, and concentrated in vacuo. The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent to give 1-(tert-butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarbaldehyde (1.40 g, 67%) as a yellow oil. 1H-NMR (CDCl3) δ 1.45–1.52 (m, 9 H), 2.49 (m, 2 H), 3.75–3.88 (m, 2 H), 4.29–4.42 (m, 1 H), 9.54 and 9.60 (s, each, total 1 H). the mixture was concentrated in vacuo diluted with Et2O (200 ml) The resulting mixture was washed with 1 N HCl (100 ml) and brine (100 ml) dried over MgSO4 concentrated in vacuo The residue was chromatographed on silica gel with hexane-EtOAc (4:1) as eluent
ソース ID: ord-9d04513045dc49d2a40be4e9ce361ca8PubChem References
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CAS 317357-15-6tert-butyl 4,4-difluoro-2-formylpyrrolidine-1-carboxylate
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