[ CAS No. 285991-71-1 ]

Name: 4-Chloro-1,1-dimethylfuro[3,4-c]pyridin-3(1H)-one
Brand: Ambeed
SKU: A274820
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2D3D

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Quality Control of [ 285991-71-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 285991-71-1 ]

SDS

Alternatived Products of [ 285991-71-1 ]

Product Details of [ 285991-71-1 ]

CAS No. :	285991-71-1	MDL No. :	MFCD16040003
Formula :	C₉H₈ClNO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	197.62	Pubchem ID :	12163147
Synonyms :

Computed Properties of [ 285991-71-1 ]

TPSA :Topological Polar Surface Area	39.2	H-Bond Acceptor Count :	3
XLogP3 :	1.8	H-Bond Donor Count :	0
SP3 :	0.33	Rotatable Bond Count :	0

Safety of [ 285991-71-1 ]

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

Application In Synthesis of [ 285991-71-1 ]

Upstream synthesis route of [ 285991-71-1 ]
Downstream synthetic route of [ 285991-71-1 ]

[ 285991-71-1 ] Synthesis Path-Upstream 1~6

1
[ 145887-88-3 ]
[ 285991-71-1 ]

Yield	Reaction Conditions	Operation in experiment
76.3%	at 130 - 150℃;	A mixture of 1 (IV series) and phosphorus pentacloride in molar ratio 1:1.1 was heated with reflux condenser at 130-150°C for15-20 min. After cooling, crashed ice was added. Precipitated crystals were filtered, washed with water and acetone and recrystallized from ethanol. Yield 76.3 percent

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 6, p. 1571 - 1580

2
[ 854930-11-3 ]
[ 285991-71-1 ]

Reference： [1] Patent: WO2005/56524, 2005, A2, . Location in patent: Page/Page column 112-113

3
[ 285991-68-6 ]
[ 285991-71-1 ]

Reference： [1] Tetrahedron Letters, 2005, vol. 46, # 19, p. 3423 - 3427
[2] Synlett, 2000, # 5, p. 625 - 626

4
[ 16498-81-0 ]
[ 67-64-1 ]
[ 145887-88-3 ]
[ 285991-71-1 ]

Reference： [1] Tetrahedron Letters, 2005, vol. 46, # 22, p. 3811 - 3813

5
[ 13332-71-3 ]
[ 285991-71-1 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 6, p. 1571 - 1580

6
[ 1269593-14-7 ]
[ 285991-71-1 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 6, p. 1571 - 1580

[ 285991-71-1 ] Synthesis Path-Downstream 1~1

1
[ 1431473-05-0 ]
[ 285991-71-1 ]
(2R,5R)-tert-butyl 5-((1,1-dimethyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)oxy)-2-methylpiperidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		A solution of tert-butyl (2i?,5i?)-5-hydroxy-2-methylpiperidine-l -carboxylate (0.600 g, 2.89 mmol) in DMF (5.5 mL) was treated with sodium hydride (0.134 mg, 5.57 mmol). After stirring ~5 minutes, 4-chloro-l,l-dimethylfuro[3,4-c]pyidin-3(lH)-one (0.757 g, 4.88 mmol) was added and the reaction was heated to 50 C overnight. The reaction was diluted with ethyl acetate and washed with saturated, aqueous NaHC03 and brine. The aqueous layer was concentrated in vacuo, azeotroped 3x with toluene, and dried on high vac, providing the crude title compound which was used without further purification. LRMS m/z (M+H) 377.4 found, 377.5 required.

Reference： [1]Patent: WO2015/95442,2015,A1 .Location in patent: Page/Page column 36; 37

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[ 285991-71-1 ]

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[ 285991-71-1 ]

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P220	Keep/Store away from clothing/combustible materials.
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P222	Do not allow contact with air.
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P230	Keep wetted
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P232	Protect from moisture.
P233	Keep container tightly closed.
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P321
P322
P330	Rinse mouth.
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P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P378
P380	Evacuate area.
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P391	Collect spillage. Hazardous to the aquatic environment
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P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
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.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
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:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
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P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
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P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
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P501	Dispose of contents/container to ...
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Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
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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

[ CAS No. 285991-71-1 ]

Quality Control of [ 285991-71-1 ]

Related Doc. of [ 285991-71-1 ]

Product Details of [ 285991-71-1 ]

Computed Properties of [ 285991-71-1 ]

Safety of [ 285991-71-1 ]

Application In Synthesis of [ 285991-71-1 ]

[ 285991-71-1 ] Synthesis Path-Upstream 1~6

[ 285991-71-1 ] Synthesis Path-Downstream 1~1

Related Functional Groups of [ 285991-71-1 ]

Chlorides

Esters

Related Parent Nucleus of [ 285991-71-1 ]

Other Aromatic Heterocycles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 285991-71-1 ]

Related Parent Nucleus of
[ 285991-71-1 ]