[ CAS No. 132195-42-7 ]

Name: 2,6-Dichloro-5-fluoro-4-methylnicotinic acid
Brand: Ambeed
SKU: A157547
Rating: 92 (28 reviews)

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2D3D

Structure of 132195-42-7 *Storage: {[proInfo.prStorage]}

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Quality Control of [ 132195-42-7 ]

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COA GC NMR CNMR HPLC/UPLC LC-MS SDS

Related Doc. of [ 132195-42-7 ]

SDS

Product Details of [ 132195-42-7 ]

CAS No. :	132195-42-7	MDL No. :	MFCD11044318
Formula :	C₇H₄Cl₂FNO₂	Boiling Point :	354.8±37.0°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	224.02	Pubchem ID :	15130379
Synonyms :

Computed Properties of [ 132195-42-7 ]

TPSA :Topological Polar Surface Area	50.2	H-Bond Acceptor Count :	4
XLogP3 :	2.8	H-Bond Donor Count :	1
SP3 :	0.14	Rotatable Bond Count :	1

Safety of [ 132195-42-7 ]

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 [ 132195-42-7 ]

Upstream synthesis route of [ 132195-42-7 ]
Downstream synthetic route of [ 132195-42-7 ]

[ 132195-42-7 ] Synthesis Path-Upstream 1~2

1
[ 82671-06-5 ]
[ 74-88-4 ]
[ 132195-42-7 ]
[ 132195-49-4 ]

Reference： [1] Patent: US2003/232818, 2003, A1. Location in patent: Page 36

2
[ 82671-06-5 ]
[ 74-88-4 ]
[ 132195-42-7 ]

Reference： [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 3, p. 518 - 525

[ 132195-42-7 ] Synthesis Path-Downstream 1~10

1
[ 82671-06-5 ]
[ 74-88-4 ]
[ 132195-42-7 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 518 - 525

2
[ 6148-64-7 ]
[ 132195-42-7 ]
[ 132195-49-4 ]
[ 132195-43-8 ]
[ 132195-52-9 ]

Yield	Reaction Conditions	Operation in experiment
		A solution of EXAMPLE 1A (9.48 mmol) in dichloromethane (20 mL) was treated with oxalyl chloride (8 mL) and DMF (2 drops), stirred for 1 hour, and concentrated; and the concentrate was dissolved in THF (25 mL) to provide an acid chloride solution. A slurry of the mono-potassium salt of ethyl malonate (4.0 g) in acetonitrile (40 mL) at 0 C. was treated with triethylamine (3.3 mL) and magnesium chloride (3.2 g), warmed to ambient temperature, stirred for 4 hours, treated with the acid chloride solution, stirred for 1 hour, treated with 1M HCl, and extracted with ethyl acetate. The extract was washed with brine, dried (Na2SO4), filtered, and concentrated; and the concentrate was flash chromatographed on silica gel with 90:10 hexanes/ethyl acetate.

Reference： [1]Patent: US2003/232818,2003,A1.Location in patent: Page 36

3
[ 82671-06-5 ]
[ 74-88-4 ]
[ 132195-42-7 ]
[ 132195-49-4 ]

Yield	Reaction Conditions	Operation in experiment
		A solution of 2,6-dichloro-5-fluoronicotinic acid (1.99 g) in THF (40 mL) at -78 C. was treated with 1.4M methyllithium in diethyl ether (14 mL), stirred at -25 C. for 1.5 hours then at -78 C. for one hour, treated with iodomethane (1.4 mL), stirred at 0 C. for 2 hours and -20 C. for 18 hours, treated with water, concentrated to remove the THF, diluted with water, washed with diethyl ether, acidified with 1M HCl, and extracted with diethyl ether; and the extract was dried (MgSO4), filtered, and concentrated.

Reference： [1]Patent: US2003/232818,2003,A1.Location in patent: Page 36

4
[ 132195-42-7 ]
[ 149366-73-4 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 518 - 525

5
[ 132195-42-7 ]
[ 132195-69-8 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 518 - 525

6
[ 132195-42-7 ]
[ 132195-66-5 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 518 - 525

7
[ 132195-42-7 ]
7-(2,5-Diaza-bicyclo[2.2.2]oct-2-yl)-1-(2,4-difluoro-phenyl)-6-fluoro-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 518 - 525

8
[ 132195-42-7 ]
7-(1R,4R)-2,5-Diaza-bicyclo[2.2.1]hept-2-yl-1-(2,4-difluoro-phenyl)-6-fluoro-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 518 - 525

9
[ 132195-42-7 ]
[ 138668-56-1 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 518 - 525

10
[ 132195-42-7 ]
[ 138668-55-0 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 518 - 525

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Code	Phrase
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P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
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P352	Wash with plenty of soap and water.
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P378
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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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H316	Causes mild skin 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

[ CAS No. 132195-42-7 ]

Quality Control of [ 132195-42-7 ]

Related Doc. of [ 132195-42-7 ]

Product Details of [ 132195-42-7 ]

Computed Properties of [ 132195-42-7 ]

Safety of [ 132195-42-7 ]

Application In Synthesis of [ 132195-42-7 ]

[ 132195-42-7 ] Synthesis Path-Upstream 1~2

[ 132195-42-7 ] Synthesis Path-Downstream 1~10

Related Functional Groups of [ 132195-42-7 ]

Fluorinated Building Blocks

Chlorides

Carboxylic Acids

Related Parent Nucleus of [ 132195-42-7 ]

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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Related Functional Groups of
[ 132195-42-7 ]

Related Parent Nucleus of
[ 132195-42-7 ]