01
反応 #4149118
反応式
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
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
表示可能な構造データがありません
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-7a0ac4a97f484076a51ad13eae707e4d2D 化学構造データベース ID 2829295
表示可能な構造データがありません
SMILES
C1=CC=C(C(=C1)C(C(F)(F)F)O)O——
製品情報
2-(2,2,2-trifluoro-1-hydroxyethyl)phenol
2-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CAS 201996-23-8) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS番号201996-23-8
データベース ID2829295
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 2829295
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)C(C(F)(F)F)O)O
- 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
12 反応 · 12 文献
02
反応 #3635565
反応式
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
+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
›
表示可能な構造データがありません
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-7a0ac4a97f484076a51ad13eae707e4d03
反応 #3235285
反応式
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
+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
関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US07151105B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Thionyl chloride (2.28 ml) was added to a solution of 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol (3.0 g) and pyridine (1.23 ml) in toluene (50 ml). The reaction was stirred at room temperature for 1 hr, after which time the toluene was removed in vacuuo and the residue partitioned between ethyl acetate (100 ml) and 1N HCl (100 ml). The organics were separated and dried over magnesium sulfate, filtered and solvent removed in vacuuo to afford the title compound as a clear oil (3.0 g). 1H NMR (CDCl3): δ 5.93 (m, 1H), 6.90 (d, J=4.52 Hz, 1H), 7.10 (m, 1H), 7.35 (m, 1H), 7.69 (m, 1H). after which time the toluene was removed in vacuuo the residue partitioned between ethyl acetate (100 ml) and 1N HCl (100 ml) The organics were separated dried over magnesium sulfate filtered solvent removed in vacuuo
ソース ID: ord-3c01318fbecd41ad92004e5d5e63bd0504
反応 #3235284
反応式
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
›
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:US07151105B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Boron tribromide (10 ml) (1M soln in DCM) was added to a solution of 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol (1.5 g) in dichloromethane (20 ml). The reaction mixture was stirred at room temperature under a atmosphere of nitrogen for 56 hrs. The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml), organics washed with water (100 ml), dried over magnesium sulfate, filtered and solvent removed in vacuuo to afford the title compound as a clear yellow oil (1.5 g). 1H NMR (CDCl3): δ 3.50 (bs, 1H), 5.25 (m, 1H), 6.73 (bs, 1H), 7.00 (m, 2H), 7.32 (d, J=2.56Hz, 1H), 7.45 (m, 1H). The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml) organics washed with water (100 ml) dried over magnesium sulfate filtered solvent removed in vacuuo
ソース ID: ord-cdfeb336cba44d11bac9d08c54bbdc4a05
反応 #3235283
反応式
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
›
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:US07151105B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Boron tribromide (10 ml) (1M soln in DCM) was added to a solution of 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol (1.5 g) in dichloromethane (20 ml). The reaction mixture was stirred at room temperature under a atmosphere of nitrogen for 56 hrs. The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml), organics washed with water (100 ml), dried over magnesium sulfate, filtered and solvent removed in vacuuo to afford the title compound as a clear yellow oil (1.5 g). 1H NMR (CDCl3): δ 3.50 (bs, 1H), 5.25 (m, 1H), 6.73 (bs, 1H), 7.00 (m, 2H), 7.32 (d, J=2.56Hz, 1H), 7.45 (m, 1H). The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml) organics washed with water (100 ml) dried over magnesium sulfate filtered solvent removed in vacuuo
ソース ID: ord-cdfeb336cba44d11bac9d08c54bbdc4a06
反応 #3233927
反応式
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
›
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:US07148226B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Boron Tribromide (10 ml) (1M soln in DCM) was added to a solution of 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol (1.5 g) in dichloromethane (20 ml). The reaction mixture was stirres at room temperature under a atmosphere of nitrogen for 56 hrs. The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml), organics washed with water (100 ml), dried over magnesium sulfate, filtered and solvent removed in vacuuo to afford the title compound as a clear yellow oil (1.5 g). 1H NMR (CDCl3): δ 3.50 (bs, 1H), 5.25 (m, 1H), 6.73 (bs, 1H), 7.00 (m, 2H), 7.32 (d, J=2.56 Hz, 1H), 7.45 (m, 1H). at room temperature for 56 hrs The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml) organics washed with water (100 ml) dried over magnesium sulfate filtered solvent removed in vacuuo
ソース ID: ord-0e5420eaf6664f1f9790cac90709b43d07
反応 #3233926
反応式
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
+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
関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US07148226B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Thionyl chloride (2.28 ml) was added to a solution of 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol (3.0 g) and pyridine (1.23 ml) in toluene (50 ml). The reaction was stirred at room temperature for 1 hr, after which time the toluene was removed in vacuuo and the residue partitioned between ethyl acetate (100 ml) and 1 HCl (100 ml). The organics were separated and dried over magnesium sulfate, filtered and solvent removed in vacuuo to afford the title compound as a clear oil (3.0 g). 1H NMR (CDCl3): δ 5.93 (m, 1H), 6.90 (d, J=4.52 Hz, 1H), 7.10 (m, 1H), 7.35 (m, 1H), 7.69 (m, 1H). after which time the toluene was removed in vacuuo the residue partitioned between ethyl acetate (100 ml) and 1 HCl (100 ml) The organics were separated dried over magnesium sulfate filtered solvent removed in vacuuo
ソース ID: ord-bc7df068716a47ea96a1331318e9f7ac08
反応 #2162144
反応式
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
+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
関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08268835B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Thionyl chloride (2.28 ml) was added to a solution of 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol (3.0 g) and pyridine (1.23 ml) in toluene (50 ml). The reaction was stirred at room temperature for 1 hr, after which time the toluene was removed in vacuo and the residue partitioned between ethyl acetate (100 ml) and 1N HCl (100 ml). The organics were separated and dried over magnesium sulfate, filtered and solvent removed in vacuo to afford the title compound as a clear oil (3.0 g). 1H NMR (CDCl3): δ 5.93 (m, 1H), 6.90 (d, J=4.52 Hz, 1H), 7.10 (m, 1H), 7.35 (m, 1H), 7.69 (m, 1H). after which time the toluene was removed in vacuo the residue partitioned between ethyl acetate (100 ml) and 1N HCl (100 ml) The organics were separated dried over magnesium sulfate filtered solvent removed in vacuo
ソース ID: ord-74bc447110a84bd9ba1cc0382a75408509
反応 #2162145
反応式
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
+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
関連文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08268835B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Thionyl chloride (2.28 ml) was added to a solution of 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol (3.0 g) and pyridine (1.23 ml) in toluene (50 ml). The reaction was stirred at room temperature for 1 hr, after which time the toluene was removed in vacuo and the residue partitioned between ethyl acetate (100 ml) and 1N HCl (100 ml). The organics were separated and dried over magnesium sulfate, filtered and solvent removed in vacuo to afford the title compound as a clear oil (3.0 g). 1H NMR (CDCl3): δ 5.93 (m, 1H), 6.90 (d, J=4.52 Hz, 1H), 7.10 (m, 1H), 7.35 (m, 1H), 7.69 (m, 1H). after which time the toluene was removed in vacuo the residue partitioned between ethyl acetate (100 ml) and 1N HCl (100 ml) The organics were separated dried over magnesium sulfate filtered solvent removed in vacuo
ソース ID: ord-74bc447110a84bd9ba1cc0382a75408510
反応 #2162142
反応式
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
›
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:US08268835B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Boron tribromide (10 ml) (1M soln in DCM) was added to a solution of 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol (1.5 g) in dichloromethane (20 ml). The reaction mixture was stirred at room temperature under a atmosphere of nitrogen for 56 hrs. The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml), organics washed with water (100 ml), dried over magnesium sulfate, filtered and solvent removed in vacuo to afford the title compound as a clear yellow oil (1.5 g). 1H NMR (CDCl3): δ 3.50 (bs, 1H), 5.25 (m, 1H), 6.73 (bs, 1H), 7.00 (m, 2H), 7.32 (d, J=2.56 Hz, 1H), 7.45 (m, 1H). The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml) organics washed with water (100 ml) dried over magnesium sulfate filtered solvent removed in vacuo
ソース ID: ord-f5c96b6bbef14d55bb25d32df5afbf8311
反応 #2162143
反応式
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
›
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:US08268835B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Boron tribromide (10 ml) (1M soln in DCM) was added to a solution of 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol (1.5 g) in dichloromethane (20 ml). The reaction mixture was stirred at room temperature under a atmosphere of nitrogen for 56 hrs. The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml), organics washed with water (100 ml), dried over magnesium sulfate, filtered and solvent removed in vacuo to afford the title compound as a clear yellow oil (1.5 g). 1H NMR (CDCl3): δ 3.50 (bs, 1H), 5.25 (m, 1H), 6.73 (bs, 1H), 7.00 (m, 2H), 7.32 (d, J=2.56 Hz, 1H), 7.45 (m, 1H). The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml) organics washed with water (100 ml) dried over magnesium sulfate filtered solvent removed in vacuo
ソース ID: ord-f5c96b6bbef14d55bb25d32df5afbf8312
反応 #1218711
反応式
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
›
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:US07473790B2
反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: Boron Tribromide (10 ml) (1M soln in DCM) was added to a solution of 2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol (1.5 g) in dichloromethane (20 ml). The reaction mixture was stirres at room temperature under a atmosphere of nitrogen for 56 hrs. The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml), organics washed with water (100 ml), dried over magnesium sulfate, filtered and solvent removed in vacuuo to afford the title compound as a clear yellow oil (1.5 g). 1H NMR (CDCl3): δ 3.50 (bs, 1H), 5.25 (m, 1H), 6.73 (bs, 1H), 7.00 (m, 2H), 7.32 (d, J=2.56 Hz, 1H), 7.45 (m, 1H). at room temperature for 56 hrs The mixture was then partitioned between DCM (100 ml) and 1N HCl (100 ml) organics washed with water (100 ml) dried over magnesium sulfate filtered solvent removed in vacuuo
ソース ID: ord-f7f8722b2bfa4867b7235030d4448f8fPubChem References
公開参考資料
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。
見積依頼
この中間体をお探しですか？
仕様、数量、納入先、用途をご連絡ください。供給可否を確認します。
CAS 201996-23-82-(2,2,2-trifluoro-1-hydroxyethyl)phenol
見積り情報を入力