[ CAS No. 615568-96-2 ]

Name: 615568-96-2|7-Fluoro-1H-benzo[d]imidazole-2-carbaldehyde|97%
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Quality Control of [ 615568-96-2 ]

COA NMR CNMR HPLC LC-MS

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Alternatived Products of [ 615568-96-2 ]

Product Details of [ 615568-96-2 ]

CAS No. :	615568-96-2	MDL No. :	MFCD18807799
Formula :	C₈H₅FN₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	164.14 g/mol	Pubchem ID :	-
Synonyms :

Safety of [ 615568-96-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 615568-96-2 ]

* 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 [ 615568-96-2 ]

[ 615568-96-2 ] Synthesis Path-Downstream 1~3

1
[ 615568-96-2 ]
(1R)-1-[(4-amino-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione dihydrochloride [ No CAS ]
[ 1075236-96-2 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 4-fluoro-1H-benzimidazole-2-carbaldehyde; (1R)-1-[(4-amino-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione dihydrochloride With sodium hydrogencarbonate; sodium sulfate In methanol; dichloromethane at 20℃; for 15h; Stage #2: With sodium tris(acetoxy)borohydride In methanol; dichloromethane at 25℃; for 4h;	46 Example 46; (lR)-l-[(4-[(4-Fluoro-lH-benzimidazol-2-yl)methyl]amino}-l- piperidinyl)methyl] - 1 ,2-dihydro-4H,9H-imidazo [ 1 ,2,3-//] -1 ,8-naphthyridine-4,9- dione dihydrochloride; To a 10 mL round-bottomed flask were added (li?)-l-[(4-amino-l- piperidinyl)methyl]-l,2-dihydro-4η,9η-imidazo[l,2,3-ij]-l,8-naphthyridine-4,9-dione (for a preparation see Example 5A(j)) (80 mg, 0.238 mmol), 4-fluoro-lH-benzimidazole- 2-carbaldehyde (for a synthesis see WO2003087098, Example 320) (42.9 mg, 0.261 mmol), and sodium bicarbonate (100 mg, 1.190 mmol) in DCM (4 ml) and methanol (1 ml) to give a brown suspension. Sodium sulfate (200 mg, 1.408 mmol) was added and the reaction was stirred at rt overnight. After 15h sodium triacetoxyborohydride (101 mg, 0.475 mmol) was added and the reaction was stirred at 25 0C under nitrogen for 4h. The reaction mixture was adsorbed onto silica and purified using 0 - 10% MeOH/DCM (1% NH4OH) to give the free base of the title compound. The LCMS and IH NMR were consistent with the desired product.1H NMR δH D-4 MeOH, (400MHz) 1.35-1.55 (m, 2H), 1.90- 1.96 (m, 2H), 2.30-2.41 (m, 2H), 2.71-2.81 (m, 2H), 2.91-2.99 (m,lH), 3.05-3.15 (m, 2H), 4.20 (s, 2H), 4.41-4.50 (m, 2H), 4.69 (s, 2H), 5.10-5.20 (m, IH), 6.25-6.36 (m, 2H), 6.91- 7.05 (m, IH), 7.16-7.25 (m, IH), 7.31-7.39 (m, IH), 7.75-7.81 (m, 2H), MS (ES+) m/z 449 (MH+). The free base of the title compound was taken up in 10% MeOH/DCM and treated with IN HCl to form the title compound as the diHCl salt (17 mg, 0.033 mmol, 13.73 % yield) .

Reference： [1]Current Patent Assignee: NEUROKIN SA; GLAXOSMITHKLINE PLC - WO2008/128942, 2008, A1 Location in patent: Page/Page column 98-99

2
[ 615568-96-2 ]
(1R)-1-[(4-amino-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione dihydrochloride [ No CAS ]
(1R)-1-[(4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]amino}-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione dihydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate; sodium sulfate / methanol; dichloromethane / 15 h / 20 °C 1.2: 4 h / 25 °C 2.1: hydrogenchloride / methanol; dichloromethane; water

Reference： [1]Current Patent Assignee: NEUROKIN SA; GLAXOSMITHKLINE PLC - WO2008/128942, 2008, A1

3
[ 615568-96-2 ]
[ 1075237-77-2 ]
[ 1075236-96-2 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 4-fluoro-1H-benzimidazole-2-carbaldehyde; (1R)-1-[(4-amino-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione With sodium hydrogencarbonate; sodium sulfate In methanol; dichloromethane at 20℃; for 15h; Stage #2: With methanol; sodium tris(acetoxy)borohydride In dichloromethane at 25℃; for 4h; Inert atmosphere;	46 Example 46 (1R)-1-[(4-[(4-Fluoro-1H-benzimidazol-2-yl)methyl]amino}-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione dihydrochloride To a 10 mL round-bottomed flask were added (1R)-1-[(4-amino-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione (for a preparation see Example 5A(j)) (80 mg, 0.238 mmol), 4-fluoro-1H-benzimidazole-2-carbaldehyde (for a synthesis see WO2003087098, Example 320) (42.9 mg, 0.261 mmol), and sodium bicarbonate (100 mg, 1.190 mmol) in DCM (4 ml) and methanol (1 ml) to give a brown suspension. Sodium sulfate (200 mg, 1.408 mmol) was added and the reaction was stirred at rt overnight. After 15 h sodium triacetoxyborohydride (101 mg, 0.475 mmol) was added and the reaction was stirred at 25° C. under nitrogen for 4 h. The reaction mixture was adsorbed onto silica and purified using 0-10% MeOH/DCM (1% NH4OH) to give the free base of the title compound. The LCMS and 1H NMR were consistent with the desired product. 1H NMR δH D-4 MeOH, (400 MHz) 1.35-1.55 (m, 2H), 1.90-1.96 (m, 2H), 2.30-2.41 (m, 2H), 2.71-2.81 (m, 2H), 2.91-2.99 (m, 1H), 3.05-3.15 (m, 2H), 4.20 (s, 2H), 4.41-4.50 (m, 2H), 4.69 (s, 2H), 5.10-5.20 (m, 1H), 6.25-6.36 (m, 2H), 6.91-7.05 (m, 1H), 7.16-7.25 (m, 1H), 7.31-7.39 (m, 1H), 7.75-7.81 (m, 2H), MS (ES+) m/z 449 (MH+).

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - US10702521, 2020, B2 Location in patent: Page/Page column 113

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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

[ CAS No. 615568-96-2 ]

Quality Control of [ 615568-96-2 ]

Related Doc. of [ 615568-96-2 ]

Product Details of [ 615568-96-2 ]

Safety of [ 615568-96-2 ]

Application In Synthesis of [ 615568-96-2 ]

[ 615568-96-2 ] Synthesis Path-Downstream 1~3

Related Functional Groups of [ 615568-96-2 ]

Fluorinated Building Blocks

Aldehydes

Related Parent Nucleus of [ 615568-96-2 ]

Benzimidazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 615568-96-2 ]

Related Parent Nucleus of
[ 615568-96-2 ]