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Quality Control of [ 885271-22-7 ] Purity: 98% SDS Specification

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Product Details of [ 885271-22-7 ]

CAS No. :	885271-22-7
Formula :	C₉H₇FN₂O₂
M.W :	194.16
SMILES Code :	O=C(O)CC1=NNC2=C1C=C(F)C=C2
English Name :	2-(5-Fluoro-1H-indazol-3-yl)acetic acid
MDL No. :	MFCD06739143
InChI Key :	MILWWVRZISGHQU-UHFFFAOYSA-N
Pubchem ID :	53411493

Safety of [ 885271-22-7 ]

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Application In Synthesis of [ 885271-22-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 885271-22-7 ]

[ 885271-22-7 ] Synthesis Path-Downstream 1~8

1
[ 395-81-3 ]
[ 885271-22-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: formic acid / 0.5 h / 45 °C 1.2: 5 h / 45 - 95 °C 2.1: hydrazine hydrate; sodium hydroxide / 0.5 h / 80 °C
	Multi-step reaction with 2 steps 1.1: formic acid / 0.5 h / 45 °C 1.2: 5 h / 70 - 95 °C 2.1: sodium hydroxide; hydrazine hydrate / 80 °C

References: [1]Current Patent Assignee: KBP BIOSCIENCES - EP2781508, 2014, A1.
[2]Current Patent Assignee: KBP BIOSCIENCES - US2014/303186, 2014, A1.

2
[ 682803-56-1 ]
[ 885271-22-7 ]

Yield	Reaction Conditions	Operation in experiment
8.6%	With hydrazine hydrate; sodium hydroxide at 80℃; for 0.5h;	11.2 Preparation of 2-(5-fluoro-1H-indazol-3-yl)acetic acid 3-Amino-3-(5-fluoro-2-nitrophenyl)propionic acid (15.32 g, 67.1 mmol) was dissolved in a mixed solution of 5% sodium hydroxide solution (80 mL) and 85% hydrazine hydrate (5 mL). The reaction was heated to 80 °C, and then Raney nickel (2×25 mg) was added carefully. After reacted for half an hour, it was cooled, and adjusted to pH≈2 with 6 N hydrochloric acid. A solid precipitated, pumping filtered, dried in vacuum to obtain a yellow solid 1.12 g, at a yield of 8.6%.
8.6%	With hydrazine hydrate; sodium hydroxide at 80℃;	11.2 2. 2. Preparation of 2-(5-fluoro-1H-indazol-3-yl)acetic acid 3-Amino-3-(5-fluoro-2-nitrophenyl)propionic acid (15.32 g, 67.1 mmol) was dissolved in a mixed solution of 5% sodium hydroxide solution (80 mL) and 85% hydrazine hydrate (5 mL). The reaction was heated to 80° C., and then Raney nickel (2*25 mg) was added carefully. After reacted for half an hour, it was cooled, and adjusted to pH=2 with 6 N hydrochloric acid. A solid precipitated, pumping filtered, dried in vacuum to obtain a yellow solid 1.12 g, at a yield of 8.6%.

References: [1]Current Patent Assignee: KBP BIOSCIENCES - EP2781508, 2014, A1 Location in patent: Paragraph 0111.
[2]Current Patent Assignee: KBP BIOSCIENCES - US2014/303186, 2014, A1 Location in patent: Paragraph 0240.

3
[ 885271-22-7 ]
[ 1437320-36-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: sulfuric acid / 16 h / Reflux 2.1: caesium carbonate / tetrahydrofuran / 0.5 h / 20 °C 2.2: 16 h
	Multi-step reaction with 2 steps 1.1: sulfuric acid / 16 h / Reflux 2.1: caesium carbonate / tetrahydrofuran / 0.5 h / 20 °C 2.2: 16 h

References: [1]Current Patent Assignee: KBP BIOSCIENCES - EP2781508, 2014, A1.
[2]Current Patent Assignee: KBP BIOSCIENCES - US2014/303186, 2014, A1.

4
[ 885271-22-7 ]
[ 1437320-37-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: sulfuric acid / 16 h / Reflux 2.1: caesium carbonate / tetrahydrofuran / 0.5 h / 20 °C 2.2: 16 h 3.1: hydrogen; 10% Pd/C / methanol / 0.5 h
	Multi-step reaction with 3 steps 1.1: sulfuric acid / 16 h / Reflux 2.1: caesium carbonate / tetrahydrofuran / 0.5 h / 20 °C 2.2: 16 h 3.1: hydrogen; 10% Pd/C / methanol / 0.5 h

References: [1]Current Patent Assignee: KBP BIOSCIENCES - EP2781508, 2014, A1.
[2]Current Patent Assignee: KBP BIOSCIENCES - US2014/303186, 2014, A1.

5
[ 885271-22-7 ]
[ 1437320-38-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: sulfuric acid / 16 h / Reflux 2.1: caesium carbonate / tetrahydrofuran / 0.5 h / 20 °C 2.2: 16 h 3.1: triethylamine / dichloromethane / 16 h / 20 °C / Cooling with ice
	Multi-step reaction with 4 steps 1.1: sulfuric acid / 16 h / Reflux 2.1: caesium carbonate / tetrahydrofuran / 0.5 h / 20 °C 2.2: 16 h 3.1: hydrogen; 10% Pd/C / methanol / 0.5 h 4.1: triethylamine / dichloromethane / 16 h / 20 °C / Cooling with ice

References: [1]Current Patent Assignee: KBP BIOSCIENCES - EP2781508, 2014, A1.
[2]Current Patent Assignee: KBP BIOSCIENCES - US2014/303186, 2014, A1.

6
[ 885271-22-7 ]
[ 1437320-01-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: sulfuric acid / 16 h / Reflux 2.1: caesium carbonate / tetrahydrofuran / 0.5 h / 20 °C 2.2: 16 h 3.1: triethylamine / dichloromethane / 16 h / 20 °C / Cooling with ice 4.1: water; lithium hydroxide monohydrate / tetrahydrofuran / 3 h / 20 °C / Cooling with ice
	Multi-step reaction with 5 steps 1.1: sulfuric acid / 16 h / Reflux 2.1: caesium carbonate / tetrahydrofuran / 0.5 h / 20 °C 2.2: 16 h 3.1: hydrogen; 10% Pd/C / methanol / 0.5 h 4.1: triethylamine / dichloromethane / 16 h / 20 °C / Cooling with ice 5.1: lithium hydroxide monohydrate / water; tetrahydrofuran / 3 h / 20 °C / Cooling with ice

References: [1]Current Patent Assignee: KBP BIOSCIENCES - EP2781508, 2014, A1.
[2]Current Patent Assignee: KBP BIOSCIENCES - US2014/303186, 2014, A1.

7
[ 64-17-5 ]
[ 885271-22-7 ]
[ 885271-93-2 ]

Yield	Reaction Conditions	Operation in experiment
37.4%	With sulfuric acid for 16h; Reflux;	11.3 Preparation of ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate 2-(5-Fluoro-1H-indazol-3-yl)acetic acid (1.12 g, 5.77 mmol) was dissolved in anhydrous ethanol (50 mL) concentrated sulfuric acid (1.5 mL), and heated under reflux for 16 hours. After concentrated under reduce pressure to remove most of ethanol, water (20 mL) was added, and extracted with ethyl acetate. The organic phase was dried over anhydrous sodium sulfate, and concentrated to obtain the product 0.48 g, at a yield of 37.4%.
37.4%	With sulfuric acid for 16h; Reflux;	11.3 3. Preparation of ethyl 2-(5-fluoro-1H-indazol-3-yl)acetate 2-(5-Fluoro-1H-indazol-3-yl)acetic acid (1.12 g, 5.77 mmol) was dissolved in anhydrous ethanol (50 mL) concentrated sulfuric acid (1.5 mL), and heated under reflux for 16 hours. After concentrated under reduce pressure to remove most of ethanol, water (20 mL) was added, and extracted with ethyl acetate. The organic phase was dried over anhydrous sodium sulfate, and concentrated to obtain the product 0.48 g, at a yield of 37.4%.

References: [1]Current Patent Assignee: KBP BIOSCIENCES - EP2781508, 2014, A1 Location in patent: Paragraph 0112.
[2]Current Patent Assignee: KBP BIOSCIENCES - US2014/303186, 2014, A1 Location in patent: Paragraph 0241.

8
[ 1439878-01-9 ]
[ 885271-22-7 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
6 %	Stage #1: N-(4-(4-amino-2,5-difluorophenoxy)pyridin-2-yl)cyclopropanecarboxamide; 2-(5-fluoro-1H-indazol-3-yl)acetic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; Stage #2: With trifluoroacetic acid In water; N,N-dimethyl-formamide; acetonitrile	1-4.d Step d or e: Amide Coupling-A Coupling was performed in a solution of N-(4-(4-amino-2,5-difluorophenoxy)pyridin-2-yl)cyclopropanecarboxamide (compound 5, 1.0 equiv) in DMF. Ring reagents were used: acid (1.2 equiv), N,N-diisopropylethylamine (DIPEA, 5.0 equiv) and TBTU (O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate, step d)( 1.2 equiv) or HATU (1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate, step e)(1.2 equiv) was added. Reaction The mixture was stirred at room temperature. The reaction mixture was diluted with ethyl acetate and washed with 10% aqueous lithium chloride (×3) and brine. The organic layer was dried over anhydrous MgSO4 and concentrated under reduced pressure.

References: [1]Current Patent Assignee: ASAN FOUNDATION - WO2024/85695, 2024, A1 Location in patent: Paragraph 376-379; 391-392; 412-415.

Historical Records

Technical Information

• Alkyl Halide Occurrence • Arndt-Eistert Homologation • Hunsdiecker-Borodin Reaction • Passerini Reaction • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Carboxylic Acids • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Ugi Reaction

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H200	Unstable explosive
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H202	Explosive; severe projection hazard
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H401	Toxic to aquatic life
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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 885271-22-7

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CAS No.: 885271-22-7

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Application In Synthesis of [ 885271-22-7 ]

[ 885271-22-7 ] Synthesis Path-Downstream 1~8

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