01
反応 #4133945
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-88c4c34f41324f85b814f883b1d4cfd42D 化学構造データベース ID 43085237
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SMILES
C1=CC(=C(C(=C1)F)CNCCO)F——
製品情報
2-[(2,6-difluorophenyl)methylamino]ethanol
2-[(2,6-difluorophenyl)methylamino]ethanol (CAS 949905-73-1) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS番号949905-73-1
データベース ID43085237
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 43085237
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
- C1=CC(=C(C(=C1)F)CNCCO)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
9 反応 · 9 文献
02
反応 #3608002
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-88c4c34f41324f85b814f883b1d4cfd403
反応 #3608001
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-88c4c34f41324f85b814f883b1d4cfd404
反応 #2156110
反応式
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関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08263618B2
反応条件: temp:75.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A mixture of 2,6-difluorobenzyl bromide (3.7 g, 17.8 mmol) and ethanolamine (6.46 mL, 107 mmol) in ethanol (18 mL) was heated at 75° C. for 16 h. The reaction mixture was concentrated and the resulting residue was diluted with dichloromethane (50 mL). The organic layer was partitioned with water (75 mL) and the aqueous layer extracted with dichloromethane (50 mL). Combined organic layers were dried over magnesium sulfate, filtered, and concentrated to give the title compound as a yellow solid (3.25 g). (m/z): [M+H]+ calcd for C9H11F2NO, 188.08. found, 188.1. 1H NMR (d6-DMSO, 300 MHz) δ (ppm): 7.37-7.34 (m, 1H), 7.10-7.05 (m, 2H), 4.47 (t, J=5.4 Hz, 1H), 3.75 (s, 2H), 3.42 (q, J=5.5 Hz, 2H), 2.25 (t, J=5.7 Hz, 2H), 1.82 (br s, 1H). The reaction mixture was concentrated the resulting residue was diluted with dichloromethane (50 mL) The organic layer was partitioned with water (75 mL) the aqueous layer extracted with dichloromethane (50 mL) Combined organic layers were dried over magnesium sulfate filtered concentrated
ソース ID: ord-63c9a7890059492f9f45ad537f4d3f6f05
反応 #2156111
反応式
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関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08263618B2
反応条件: temp:75.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A mixture of 2,6-difluorobenzyl bromide (3.7 g, 17.8 mmol) and ethanolamine (6.46 mL, 107 mmol) in ethanol (18 mL) was heated at 75° C. for 16 h. The reaction mixture was concentrated and the resulting residue was diluted with dichloromethane (50 mL). The organic layer was partitioned with water (75 mL) and the aqueous layer extracted with dichloromethane (50 mL). Combined organic layers were dried over magnesium sulfate, filtered, and concentrated to give the title compound as a yellow solid (3.25 g). (m/z): [M+H]+ calcd for C9H11F2NO, 188.08. found, 188.1. 1H NMR (d6-DMSO, 300 MHz) δ (ppm): 7.37-7.34 (m, 1H), 7.10-7.05 (m, 2H), 4.47 (t, J=5.4 Hz, 1H), 3.75 (s, 2H), 3.42 (q, J=5.5 Hz, 2H), 2.25 (t, J=5.7 Hz, 2H), 1.82 (br s, 1H). The reaction mixture was concentrated the resulting residue was diluted with dichloromethane (50 mL) The organic layer was partitioned with water (75 mL) the aqueous layer extracted with dichloromethane (50 mL) Combined organic layers were dried over magnesium sulfate filtered concentrated
ソース ID: ord-63c9a7890059492f9f45ad537f4d3f6f06
反応 #1267657
反応式
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関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US09206172B2
反応条件: temp:75.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A mixture of 2,6-difluorobenzyl bromide (3.7 g, 17.8 mmol) and ethanolamine (6.46 mL, 107 mmol) in ethanol (18 mL) was heated at 75° C. for 16 h. The reaction mixture was concentrated and the resulting residue was diluted with dichloromethane (50 mL). The organic layer was partitioned with water (75 mL) and the aqueous layer extracted with dichloromethane (50 mL). Combined organic layers were dried over magnesium sulfate, filtered, and concentrated to give the title compound as a yellow solid (3.25 g). (m/z): [M+H]+ calcd for C9H11F2NO, 188.08. found, 188.1. 1H NMR (d6-DMSO, 300 MHz) δ (ppm): 7.37-7.34 (m, 1H), 7.10-7.05 (m, 2H), 4.47 (t, J=5.4 Hz, 1H), 3.75 (s, 2H), 3.42 (q, J=5.5 Hz, 2H), 2.25 (t, J=5.7 Hz, 2H), 1.82 (br s, 1H). The reaction mixture was concentrated the resulting residue was diluted with dichloromethane (50 mL) The organic layer was partitioned with water (75 mL) the aqueous layer extracted with dichloromethane (50 mL) Combined organic layers were dried over magnesium sulfate filtered concentrated
ソース ID: ord-d2fdc0c79c194cd6a9f2a0488d32228b07
反応 #1201731
反応式
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関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US07622508B2
反応条件: temp:75.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A mixture of 2,6-difluorobenzyl bromide (3.7 g, 17.8 mmol) and ethanolamine (6.46 mL, 107 mmol) in ethanol (18 mL) was heated at 75° C. for 16 h. The reaction mixture was concentrated and the resulting residue was diluted with dichloromethane (50 mL). The organic layer was partitioned with water (75 mL) and the aqueous layer extracted with dichloromethane (50 mL). Combined organic layers were dried over magnesium sulfate, filtered, and concentrated to give the title compound as a yellow solid (3.25 g). (m/z): [M+H]+ calcd for C9H11F2NO, 188.08; found, 188.1. 1H NMR (d6-DMSO, 300 MHz) δ (ppm): 7.37-7.34 (m, 1H), 7.10-7.05 (m, 2H), 4.47 (t, J=5.4 Hz, 1H), 3.75 (s, 2H), 3.42 (q, J=5.5 Hz, 2H), 2.25 (t, J=5.7 Hz, 2H), 1.82 (br s, 1H). The reaction mixture was concentrated the resulting residue was diluted with dichloromethane (50 mL) The organic layer was partitioned with water (75 mL) the aqueous layer extracted with dichloromethane (50 mL) Combined organic layers were dried over magnesium sulfate filtered concentrated
ソース ID: ord-1873502ba001468bb198f0165e7004af08
反応 #1185954
反応式
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関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08927573B2
反応条件: temp:75.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A mixture of 2,6-difluorobenzyl bromide (3.7 g, 17.8 mmol) and ethanolamine (6.46 mL, 107 mmol) in ethanol (18 mL) was heated at 75° C. for 16 h. The reaction mixture was concentrated and the resulting residue was diluted with dichloromethane (50 mL). The organic layer was partitioned with water (75 mL) and the aqueous layer extracted with dichloromethane (50 mL). Combined organic layers were dried over magnesium sulfate, filtered, and concentrated to give the title compound as a yellow solid (3.25 g). (m/z): [M+H]+ calcd for C9H11F2NO, 188.08; found, 188.1. 1H NMR (d6-DMSO, 300 MHz) δ (ppm): 7.37-7.34 (m, 1H), 7.10-7.05 (m, 2H), 4.47 (t, J=5.4 Hz, 1H), 3.75 (s, 2H), 3.42 (q, J=5.5 Hz, 2H), 2.25 (t, J=5.7 Hz, 2H), 1.82 (br s, 1H). The reaction mixture was concentrated the resulting residue was diluted with dichloromethane (50 mL) The organic layer was partitioned with water (75 mL) the aqueous layer extracted with dichloromethane (50 mL) Combined organic layers were dried over magnesium sulfate filtered concentrated
ソース ID: ord-51390ef9ee2d4fa7821aa0177c21a3cb09
反応 #1024661
反応式
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:10.6084/m9.figshare.5104873.v1; patent:US08664242B2
反応条件: temp:75.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A mixture of 2,6-difluorobenzyl bromide (3.7 g, 17.8 mmol) and ethanolamine (6.46 mL, 107 mmol) in ethanol (18 mL) was heated at 75° C. for 16 h. The reaction mixture was concentrated and the resulting residue was diluted with dichloromethane (50 mL). The organic layer was partitioned with water (75 mL) and the aqueous layer extracted with dichloromethane (50 mL). Combined organic layers were dried over magnesium sulfate, filtered, and concentrated to give the title compound as a yellow solid (3.25 g). (m/z): [M+H]+ calcd for C9H11F2NO, 188.08; found, 188.1. 1H NMR (d6-DMSO, 300 MHz) δ (ppm): 7.37-7.34 (m, 1H), 7.10-7.05 (m, 2H), 4.47 (t, J=5.4 Hz, 1H), 3.75 (s, 2H), 3.42 (q, J=5.5 Hz, 2H), 2.25 (t, J=5.7 Hz, 2H), 1.82 (br s, 1H). The reaction mixture was concentrated the resulting residue was diluted with dichloromethane (50 mL) The organic layer was partitioned with water (75 mL) the aqueous layer extracted with dichloromethane (50 mL) Combined organic layers were dried over magnesium sulfate filtered concentrated
ソース ID: ord-0e1b6c74d297435eba2af53a948826b3PubChem References
公開参考資料
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CAS 949905-73-12-[(2,6-difluorophenyl)methylamino]ethanol
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