[ CAS No. 1621615-08-4 ]

Name: 1621615-08-4|2-Chloro-7-iodoquinoline-3-carbaldehyde|97%
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Quality Control of [ 1621615-08-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 1621615-08-4 ]

CAS No. :	1621615-08-4	MDL No. :	MFCD32063258
Formula :	C₁₀H₅ClINO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FEPSVMOGHANOJS-UHFFFAOYSA-N
M.W :	317.51	Pubchem ID :	90333471
Synonyms :

Safety of [ 1621615-08-4 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1621615-08-4 ]

* 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 [ 1621615-08-4 ]

[ 1621615-08-4 ] Synthesis Path-Downstream 1~6

1
[ 19230-45-6 ]
[ 68-12-2 ]
[ 1621615-08-4 ]

Yield	Reaction Conditions	Operation in experiment
40%	Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 0℃; for 0.166667h; Inert atmosphere; Stage #2: N-(3-iodophenyl)acetamide at 75℃; for 17h;	7 2-chloro-7-iodoquinoline-3-carbaldehyde To POC13 (14.9 mL, 160 mmol, 7.00 equiv) at 0 °C and under an atmosphere of N2, was added DMF (4.40 mL, 57.1 mmol, 2.50 equiv). After stirring for 10 mm at 0 °C, N-(3- iodophenyl)acetamide (5.96 g, 22.8 mmol, 1.00 equiv; Pialat, A. eta., Org. Lett. 2013, 15:1764-1767) was added. After stirring for 17 hr at 75 °C, the reaction mixture was poured into ice. The phases were separated and the aqueous phase was extracted with CH2C12 (3 x 50 mL). The combined organic phases were washed with brine (100 mL), dried (MgSO4), and filtered. The filtrate was concentrated in vacuo and the residue was purified by silica gel column chromatography eluting with CH2C12/MeOH to afford 2.9 g of the title compound (40% yield).NMR Spectroscopy: ‘H NMR (300 MHz, CDC13): ö 10.55 (s, 1H), 8.72 (s, 1H), 8.52 (s, 1H), 7.93 (dd, J 8.4 Hz, 1.5 Hz, 1H), 7.69 (d, J 8.4 Hz, 1H).

Reference： [1]Current Patent Assignee: OCUTERRA THERAPEUTICS INC - WO2016/134223, 2016, A2 Location in patent: Page/Page column 77

2
[ CAS Unavailable ]
[ 1621615-08-4 ]
[ 1621615-09-5 ]

Yield	Reaction Conditions	Operation in experiment
63%	With copper(l) iodide In N,N-dimethyl-formamide at 23 - 95℃; for 2h; Inert atmosphere;	7 2-chloro-7-(trifluoromethyl)quinoline-3-carbaldehyde To 2-chloro-7-iodoquinoline-3-carbaldehyde (2.90 g, 9.13 mmol, 1.00 equiv) in DMF (18 mL) at 23 °C and under an atmosphere of N2, was added CuT (4.35 g, 22.8 mmol, 2.50 equiv) and FSO2CF2CO2Me (11.6 mL, 91.3 mmol, 10.0 equiv). After stirring for 2 hr at 95°C, the reaction mixture was cooled to 23 °C and filtered through a pad of CELITE. The filtrate was concentrated in vacuo and the residue was purified by silica gel column chromatography eluting with hexanes/EtOAc to afford 1.5 g of the title compound (63% yield).NMR Spectroscopy: ‘H NMR (300 MHz, CDC13): ö 10.60 (s, 1H), 8.82 (s, 1H), 8.39 (s, 1H), 8.14 (d, J= 8.4 Hz, 1H), 7.84 (d, J= 8.4 Hz, 1H). ‘9F NMR (282 MI-Tz, CDC13): ö -63.2 (s, 3F).

Reference： [1]Current Patent Assignee: OCUTERRA THERAPEUTICS INC - WO2016/134223, 2016, A2 Location in patent: Page/Page column 77

3
[ 1621615-08-4 ]
[ 1258638-23-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: copper(l) iodide / N,N-dimethyl-formamide / 2 h / 23 - 95 °C / Inert atmosphere 2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; formic acid; triethylamine / N,N-dimethyl-formamide / 1 h / 23 - 100 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: OCUTERRA THERAPEUTICS INC - WO2016/134223, 2016, A2

4
[ 1621615-08-4 ]
[ 1621615-10-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: copper(l) iodide / N,N-dimethyl-formamide / 2 h / 23 - 95 °C / Inert atmosphere 2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; formic acid; triethylamine / N,N-dimethyl-formamide / 1 h / 23 - 100 °C / Inert atmosphere 3: 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium chloride / acetonitrile / 1 h / 23 - 75 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: OCUTERRA THERAPEUTICS INC - WO2016/134223, 2016, A2

5
[ 1621615-08-4 ]
[ 1621615-11-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: copper(l) iodide / N,N-dimethyl-formamide / 2 h / 23 - 95 °C / Inert atmosphere 2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; formic acid; triethylamine / N,N-dimethyl-formamide / 1 h / 23 - 100 °C / Inert atmosphere 3: 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium chloride / acetonitrile / 1 h / 23 - 75 °C / Inert atmosphere 4: lithium aluminium tetrahydride / tetrahydrofuran / 0.17 h / 0 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: OCUTERRA THERAPEUTICS INC - WO2016/134223, 2016, A2

6
[ 1621615-08-4 ]
[ 1621614-94-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1.1: copper(l) iodide / N,N-dimethyl-formamide / 2 h / 23 - 95 °C / Inert atmosphere 2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; formic acid; triethylamine / N,N-dimethyl-formamide / 1 h / 23 - 100 °C / Inert atmosphere 3.1: 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium chloride / acetonitrile / 1 h / 23 - 75 °C / Inert atmosphere 4.1: lithium aluminium tetrahydride / tetrahydrofuran / 0.17 h / 0 °C / Inert atmosphere 5.1: Triethyl orthoacetate / 2 h / 23 - 140 °C / Inert atmosphere 5.2: 1 h / 23 °C 5.3: 0.33 h / 23 - 60 °C

Reference： [1]Current Patent Assignee: OCUTERRA THERAPEUTICS INC - WO2016/134223, 2016, A2

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Application In Synthesis of [ 1621615-08-4 ]

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Precautionary Statements-General
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P378
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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
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P401
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Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H204	Fire or projection hazard
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H221	Flammable gas
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H240	Heating may cause an explosion
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Code	Phrase
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H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
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H314	Causes severe skin burns and eye damage
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H316	Causes mild skin irritation
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H319	Causes serious eye irritation
H320	Causes eye irritation
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Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
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. 1621615-08-4 ]

Quality Control of [ 1621615-08-4 ]

Related Doc. of [ 1621615-08-4 ]

Product Details of [ 1621615-08-4 ]

Safety of [ 1621615-08-4 ]

Application In Synthesis of [ 1621615-08-4 ]

[ 1621615-08-4 ] Synthesis Path-Downstream 1~6

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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