[ CAS No. 1065267-10-8 ] {[proInfo.proName]}

Name: 1065267-10-8|Ethyl 3,5-difluoropicolinate|98%
Brand: Ambeed
SKU: A393186
Rating: 90 (29 reviews)

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Cat. No.: {[proInfo.prAm]}

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Quality Control of [ 1065267-10-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 1065267-10-8 ]

CAS No. :	1065267-10-8	MDL No. :	MFCD11616885
Formula :	C₈H₇F₂NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VEXJJUULFRUNOQ-UHFFFAOYSA-N
M.W :	187.14	Pubchem ID :	46311358
Synonyms :

Calculated chemistry of [ 1065267-10-8 ] Expand+

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.25
Num. rotatable bonds :	3
Num. H-bond acceptors :	5.0
Num. H-bond donors :	0.0
Molar Refractivity :	40.24
TPSA :	39.19 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.3 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.93
Log Po/w (XLOGP3) :	1.61
Log Po/w (WLOGP) :	2.38
Log Po/w (MLOGP) :	1.51
Log Po/w (SILICOS-IT) :	2.38
Consensus Log Po/w :	1.96

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.16
Solubility :	1.3 mg/ml ; 0.00695 mol/l
Class :	Soluble
Log S (Ali) :	-2.04
Solubility :	1.69 mg/ml ; 0.00902 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.07
Solubility :	0.161 mg/ml ; 0.000859 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.94

Safety of [ 1065267-10-8 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501	UN#:	2811
Hazard Statements:	H301-H311-H331	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 1065267-10-8 ]

* 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 [ 1065267-10-8 ]

[ 1065267-10-8 ] Synthesis Path-Downstream 1~16

1
[ 298709-29-2 ]
[ 64-17-5 ]
[ 1065267-10-8 ]

Yield	Reaction Conditions	Operation in experiment
69%		3,5-Difluoropyridine-2-carbonitrile (3.5g, 25mmol) was dissolved in EtOH (5OmL) and 4N HCl/l,4-dioxane (5OmL) was added. This reaction mixture was refiuxed for 24 hours under a nitrogen atmosphere. The reaction mixture was concentrated, dissolved in ethyl acetate (10OmL), and washed with saturated NaHCO3. The organic layer was dried over Na2SO4, and concentrated under reduced pressure. Purification by column chromatography (EtOAc : Hexanes = 1 :9) gave the title compound (3.1g, 69percent) as a semi solid. LCMS: [M+H]+188

Reference： [1]Patent: WO2008/117050,2008,A1 .Location in patent: Page/Page column 73

2
[ 1065267-10-8 ]
[ 1065267-14-2 ]

Yield	Reaction Conditions	Operation in experiment
98%	With sodium tetrahydroborate; In ethanol; at 0 - 20℃; for 2h;Cooling with ice;	Step B: Preparation of (3,5-difluoro-pyridin-2-yl)-methanol To a solution of 3,5-difluoro-pyridine-2-carboxylic acid ethyl ester of Step A (2.5 g, 12.6 mmol) in ethanol (10 mL), cooled using an ice water bath, was added sodium borohydride (1.43 g, 37.8 mmol) in a portion wise manner. The solution was stirred at 0 C. for thirty minutes and at ambient temperature for two hours. The reaction was returned to 0 C. and saturated ammonium chloride was added dropwise. The solvent was removed in vacuo and the resulting residue was partitioned between ethyl acetate and water. The organic layer was washed with saturated ammonium chloride, water and brine and dried over magnesium sulfate. The slurry was filtered and concentrated to provide the alcohol as a yellow oil (1.8 g, 98%). MS (M+H): 146
71%	With lithium borohydride; In tetrahydrofuran; at 0 - 25℃;	A stirred solution of ethyl 3,5-difluoropyridine-2-carboxylate (Intermediate 29, 3.1g, 16.57mmol) in anhydrous THF (10OmL) was cooled to O0C. To this solution was added portion- wise LiBH4 (l.lg, 50mmol) under a nitrogen atmosphere. After stirring 30 minutes at O0C, the reaction mixture was warmed to room temperature and stirred overnight. After cooling to O0C, the reaction mixture was quenched with MeOH, followed by saturated NH4Cl (aq) solution. After most of the organic solvent was removed by evaporation, the residue remaining was diluted with H2O and extracted with EtOAc (2x). The combined organic phases were dried (Na2SO4) and evaporated to give the title compound (1.7g, 71%). <n="75"/>LCMS: [M+H]+ 146.

Reference： [1]Patent: US2013/143906,2013,A1 .Location in patent: Paragraph 0316
[2]Patent: WO2008/117050,2008,A1 .Location in patent: Page/Page column 73-74

3
[ 1065267-10-8 ]
[ 1222633-85-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: sodium tetrahydroborate / ethanol / 2 h / 0 - 20 °C / Cooling with ice 2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 1 h / 20 °C / Cooling with ice

Reference： [1]Current Patent Assignee: ACLARIS THERAPEUTICS, INC. - US2013/143906, 2013, A1

4
[ 1065267-10-8 ]
[ 1442482-62-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: sodium tetrahydroborate / ethanol / 2 h / 0 - 20 °C / Cooling with ice 2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 1 h / 20 °C / Cooling with ice 3: potassium carbonate; 18-crown-6 ether / 18 h / 60 °C

Reference： [1]Current Patent Assignee: ACLARIS THERAPEUTICS, INC. - US2013/143906, 2013, A1

5
[ 1065267-10-8 ]
(+)-5-chloro-6-((3,5-difluoropyridin-2-yl)methoxy)-3-(5-(2-(2-hydroxypropan-2-yl)pyrimidin-4-yl)-2-methylphenyl)-2-methylpyrimidin-4(3H)-one [ No CAS ]
(-)-5-chloro-6-((3,5-difluoropyridin-2-yl)methoxy)-3-(5-(2-(2-hydroxypropan-2-yl)pyrimidin-4-yl)-2-methylphenyl)-2-methylpyrimidin-4(3H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: sodium tetrahydroborate / ethanol / 2 h / 0 - 20 °C / Cooling with ice 2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 1 h / 20 °C / Cooling with ice 3: potassium carbonate; 18-crown-6 ether / 18 h / 60 °C 4: chiralcel OJ-H / isopropyl alcohol

Reference： [1]Current Patent Assignee: ACLARIS THERAPEUTICS, INC. - US2013/143906, 2013, A1

6
[ 745784-04-7 ]
[ 64-17-5 ]
[ 1065267-10-8 ]

Yield	Reaction Conditions	Operation in experiment
100%	With thionyl chloride; at 60℃; for 3h;Cooling with ice;	Step A: Preparation of <strong>[745784-04-7]3,5-difluoro-pyridine-2-carboxylic acid</strong> ethyl ester To a suspension of <strong>[745784-04-7]3,5-difluoropyridine-2-carboxylic acid</strong> (2.0 g, 12.6 mmol) in ethanol (5 mL), cooled using an ice water bath, was added thionyl chloride (2 mL) in a dropwise manner. The solution was heated at 60 C. for three hours. The reaction was returned to ambient temperature and was concentrated in vacuo to provide the ethyl ester, hydrochloride salt, as a yellow oil (2.5 g, quantitative yield).
88%	With sulfuric acid; at 80℃; for 2h;	A solution of <strong>[745784-04-7]3,5-difluoropicolinic acid</strong> (3.3 g, 20.75 mmol), H2S04 (5 mL)in EtOH (20 mL) was stirred for 2 hours at 80 C. Then solvent was removed. The residue was diluted with EtOAc and it was washed with brine(x2). The organic layers was concentrated to give ethyl 3,5-difluoropicolinate as a pale yellow solid (3.44 g, 88%). ESI-MS m/z: 188.0 [M+Hjt
88%	With sulfuric acid; at 80℃; for 2h;	A solution of <strong>[745784-04-7]3,5-difluoropicolinic acid</strong> (3.3 g, 20.75 mmol), H2SO4 (5 mL)in EtOH (20 mL) was stirred for 2 hours at 80 oC. Then solvent was removed. The residue was diluted with EtOAc and it was washed with brine(x2). The organic layers was concentrated to give ethyl 3,5-difluoropicolinate as a pale yellow solid (3.44 g, 88%). ESI-MS m/z: 188.0 [M+H]+.

Reference： [1]Patent: US2013/143906,2013,A1 .Location in patent: Paragraph 0315
[2]Patent: WO2017/15449,2017,A1 .Location in patent: Page/Page column 123
[3]Patent: WO2019/67864,2019,A1 .Location in patent: Page/Page column 123-124

7
[ 1065267-10-8 ]
5-(2,2-difluoroethoxy)-3-fluoropyridine-2-carboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium carbonate / acetonitrile / 48 h / 20 °C 2: sodium hydroxide; water / tetrahydrofuran / 120 h / 20 °C

Reference： [1]Current Patent Assignee: ELI LILLY & CO - US2014/371212, 2014, A1

8
[ 359-13-7 ]
[ 1065267-10-8 ]
ethyl 5-(2,2-difluoroethoxy)-3-fluoropyridine-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
18%	With potassium carbonate In acetonitrile at 20℃; for 48h;	30 PREPARATION 30 Ethyl 5-(2,2-difluoroethoxy)-3-fluoro-pyridine-2-carboxylate Ethyl 5-(2,2-difluoroethoxy)-3-fluoro-pyridine-2-carboxylate Ethyl 3,5-difluoropyridine-2-carboxylate (0.98 g, 5.24 mmol) is dissolved in acetonitrile (20 mL). Difluoroethanol (430 μL, 6.81 mmol) is added followed by potassium carbonate (1.83 g, 13.09 mmol). The solution is stirred at room temperature for 2 days then filtered and the filtrate is concentrated. The crude material is purified via silica gel chromatography eluting with a 0-25-50% ethyl acetate/hexanes gradient to give the title compound (242 mg, 18%). ES/MS (m/e): 250.0 (M+1).

Reference： [1]Current Patent Assignee: ELI LILLY & CO - US2014/371212, 2014, A1 Location in patent: Paragraph 0181; 0182

9
[ 110-91-8 ]
[ 1065267-10-8 ]
ethyl 5-fluoro-3-morpholinopicolinate [ No CAS ]
ethyl 3-fluoro-5-morpholinopicolinate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate In dimethyl sulfoxide; N,N-dimethyl-formamide at 20℃; Overall yield = 3.37 g;	136.b Example 136 step b; A solution of ethyl 3,5-difluoropicolinate (3.1 g, 16.6 mmol), morpholine (1.44 g, 16.6 mmol) and K2C03 (6.87 g, 49.8 mmol) in DMF (4 mL) and DMSO (6 mL) was stirred for overnight at room temperature. It was poured into water and extracted with EtOAc. The organic layer was dried over Na2SO4 and concentrated to give a mixture of ethyl 5-fluoro-3-morpholinopicolinate and the isomer ethyl 3-fluoro-5-morpholinopicolinate as a pale yellow solid (3.37 g). ESI-MS m/z: 255.2 [M+Hf
	With potassium carbonate In dimethyl sulfoxide; N,N-dimethyl-formamide at 20℃; Overall yield = 3.37 g;	136.b A solution of ethyl 3,5-difluoropicolinate (3.1 g, 16.6 mmol), morpholine (1.44 g, 16.6 mmol) and K2CO3 (6.87 g, 49.8 mmol) in DMF (4 mL) and DMSO (6 mL) was stirred for overnight at room temperature. It was poured into water and extracted with EtOAc. The organic layer was dried over Na2SO4 and concentrated to give a mixture of ethyl 5-fluoro-3- morpholinopicolinate and the isomer ethyl 3-fluoro-5-morpholinopicolinate as a pale yellow solid (3.37 g). ESI-MS m/z: 255.2 [M+H]+.

Reference： [1]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2017/15449, 2017, A1 Location in patent: Page/Page column 123
[2]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2019/67864, 2019, A1 Location in patent: Page/Page column 124

10
[ 1065267-10-8 ]
(S)-3-((5-(5-fluoro-3-morpholinopyridin-2-yl)-1,3,4-oxadiazol-2-yl)amino)-5-phenyl-1,3-dihydro-2H-benzo[e][1,4] diazepin-2-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1: potassium carbonate / N,N-dimethyl-formamide; dimethyl sulfoxide / 20 °C 2: sodium hydroxide / tetrahydrofuran; water / 2 h / 20 °C 3: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.5 h / 20 °C 4: hydrogenchloride / ethyl acetate / 0.5 h / 20 °C 5: N,N-dimethyl-formamide; acetonitrile / 1 h / 20 °C 6: triethylamine; p-toluenesulfonyl chloride; dmap / dichloromethane / 1 h
	Multi-step reaction with 5 steps 1.1: potassium carbonate / N,N-dimethyl-formamide; dimethyl sulfoxide / 20 °C 1.2: 2 h / 20 °C 2.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.5 h / 20 °C 3.1: hydrogenchloride / water; ethyl acetate / 0.5 h / 20 °C 4.1: N,N-dimethyl-formamide; acetonitrile / 1 h / 20 °C 4.2: 48 h 5.1: triethylamine; dmap; p-toluenesulfonyl chloride / dichloromethane / 1 h

Reference： [1]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2017/15449, 2017, A1
[2]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2019/67864, 2019, A1

11
[ 1065267-10-8 ]
5-fluoro-3-morpholinopicolinic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide; dimethyl sulfoxide / 20 °C 2: sodium hydroxide / tetrahydrofuran; water / 2 h / 20 °C

Reference： [1]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2017/15449, 2017, A1

12
[ 1065267-10-8 ]
tert-butyl 2-(5-fluoro-3-morpholinopicolinoyl)hydrazine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide; dimethyl sulfoxide / 20 °C 2: sodium hydroxide / tetrahydrofuran; water / 2 h / 20 °C 3: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.5 h / 20 °C
	Multi-step reaction with 2 steps 1.1: potassium carbonate / N,N-dimethyl-formamide; dimethyl sulfoxide / 20 °C 1.2: 2 h / 20 °C 2.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.5 h / 20 °C

Reference： [1]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2017/15449, 2017, A1
[2]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2019/67864, 2019, A1

13
[ 1065267-10-8 ]
5-fluoro-3-morpholinopicolinohydrazide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: potassium carbonate / N,N-dimethyl-formamide; dimethyl sulfoxide / 20 °C 2: sodium hydroxide / tetrahydrofuran; water / 2 h / 20 °C 3: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.5 h / 20 °C 4: hydrogenchloride / ethyl acetate / 0.5 h / 20 °C
	Multi-step reaction with 3 steps 1.1: potassium carbonate / N,N-dimethyl-formamide; dimethyl sulfoxide / 20 °C 1.2: 2 h / 20 °C 2.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.5 h / 20 °C 3.1: hydrogenchloride / water; ethyl acetate / 0.5 h / 20 °C

Reference： [1]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2017/15449, 2017, A1
[2]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2019/67864, 2019, A1

14
[ 1065267-10-8 ]
(S)-2-(5-fluoro-3-morpholinopicolinoyl)-N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)hydrazine-1-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: potassium carbonate / N,N-dimethyl-formamide; dimethyl sulfoxide / 20 °C 2: sodium hydroxide / tetrahydrofuran; water / 2 h / 20 °C 3: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.5 h / 20 °C 4: hydrogenchloride / ethyl acetate / 0.5 h / 20 °C 5: N,N-dimethyl-formamide; acetonitrile / 1 h / 20 °C
	Multi-step reaction with 4 steps 1.1: potassium carbonate / N,N-dimethyl-formamide; dimethyl sulfoxide / 20 °C 1.2: 2 h / 20 °C 2.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.5 h / 20 °C 3.1: hydrogenchloride / water; ethyl acetate / 0.5 h / 20 °C 4.1: N,N-dimethyl-formamide; acetonitrile / 1 h / 20 °C 4.2: 48 h

Reference： [1]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2017/15449, 2017, A1
[2]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2019/67864, 2019, A1

15
[ 110-91-8 ]
[ 1065267-10-8 ]
5-fluoro-3-morpholinopicolinic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
817 mg	Stage #1: morpholine; 3,5-difluoro-pyridine-2-carboxylic acid ethyl ester With potassium carbonate In dimethyl sulfoxide; N,N-dimethyl-formamide at 20℃; Stage #2: With water; sodium hydroxide In tetrahydrofuran at 20℃; for 2h;	136.c A solution of ethyl 3,5-difluoropicolinate (3.1 g, 16.6 mmol), morpholine (1.44 g, 16.6 mmol) and K2CO3 (6.87 g, 49.8 mmol) in DMF (4 mL) and DMSO (6 mL) was stirred for overnight at room temperature. It was poured into water and extracted with EtOAc. The organic layer was dried over Na2SO4 and concentrated to give a mixture of ethyl 5-fluoro-3- morpholinopicolinate and the isomer ethyl 3-fluoro-5-morpholinopicolinate as a pale yellow solid (3.37 g). ESI-MS m/z: 255.2 [M+H]+. Example 136 step c: A solution of the mixture of isomers from step b (3.37 g, 13.3 mmol) and NaOH (796 mg, 19.9 mmol) in THF (10 mL) and H2O (15 mL) was stirred for 2 hours at room temperature. It was adjusted pH to 2-3 with HCl and purified by Prep-HPLC (MeCN/H2O) to give 817 mg of the desired compound 5-fluoro-3-morpholinopicolinic acid as a white solid. ESI-MS m/z: 227.0[M+H]+.

Reference： [1]Current Patent Assignee: ENANTA PHARMACEUTICALS INC - WO2019/67864, 2019, A1 Location in patent: Page/Page column 124

16
[ 5308-25-8 ]
[ 1065267-10-8 ]
ethyl 5-(4-ethylpiperazin-1-yl)-3-fluoropyridine-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.46 g	With potassium carbonate In N,N-dimethyl acetamide at 70℃; for 2h; Microwave irradiation;	Preparation of ethyl 5-(4-ethylpiperazin-1-yl)-3-fluoropyridine-2-carboxylate Preparation of ethyl 5-(4-ethylpiperazin-1-yl)-3-fluoropyridine-2-carboxylate In a microwave reactor, a suspension of 1.98 g (17.4 mmol) of 1-ethylpiperazine, 2.50 g (13.4 mmol) of ethyl 3,5-difluoropyridine-2-carboxylate and 2.40 g (17.4 mmol) of potassium carbonate in 21 ml of N,N-dimethylacetamide was heated at 70° C. for 2 h. Water was then added to the reaction mixture and the mixture was extracted repeatedly with ethyl acetate. The combined organic phases were dried with sodium sulfate and filtered and the solvent was removed under reduced pressure. The residue was separated chromatographically by MPLC on silica gel (gradient: cyclohexane/ethyl acetate+1% v/v triethylamine). This gave 1.46 g of ethyl 5-(4-ethylpiperazin-1-yl)-3-fluoropyridine-2-carboxylate. 1H-NMR (400.0 MHz, d6-DMSO): δ=8.2421 (2.7); 8.2374 (4.2); 7.2262 (2.2); 7.2203 (2.2); 7.1891 (2.2); 7.1832 (2.2); 4.2963 (2.2); 4.2786 (7.0); 4.2608 (7.1); 4.2431 (2.3); 3.4222 (6.1); 3.4097 (7.9); 3.3967 (6.4); 3.3230 (23.9); 2.9455 (4.4); 2.7859 (3.6); 2.5080 (21.5); 2.5036 (28.6); 2.4992 (21.7); 2.4833 (6.8); 2.4705 (8.4); 2.4579 (6.3); 2.3926 (1.9); 2.3746 (6.1); 2.3566 (6.2); 2.3387 (2.1); 1.9587 (3.8); 1.3048 (7.7); 1.2870 (16.0); 1.2693 (7.5); 1.0464 (6.7); 1.0284 (13.9); 1.0105 (6.4); 0.0079 (0.8); -0.0002 (18.1); -0.0082 (0.8).

Reference： [1]Current Patent Assignee: BAYER AG - US2020/62729, 2020, A1 Location in patent: Paragraph 0706-0708

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Technical Information

• Acyl Group Substitution • Alcohols Convert Acyl Chlorides into Esters • Alcoholysis of Anhydrides • Alkyl Halide Occurrence • Amines Convert Esters into Amides • An Alkane are Prepared from an Haloalkane • Bouveault-Blanc Reduction • Catalytic Hydrogenation • Chichibabin Reaction • Claisen Condensations Produce β-Dicarbonyl Compounds • Claisen Condensations Produce β-Dicarbonyl Compounds • Complex Metal Hydride Reductions • Convert Esters into Aldehydes Using a Milder Reducing Agent • Decarboxylation of 3-Ketoacids Yields Ketones • Deprotection of Cbz-Amino Acids • Ester Cleavage • Ester Hydrolysis • Friedel-Crafts Alkylation of Benzene with Haloalkanes • Grignard Reagents Transform Esters into Alcohols • Hantzsch Pyridine Synthesis • Ketones Undergo Mixed Claisen Reactions to Form β-Dicarbonyl Compounds • Preparation of Amines • Pyridines React with Grignard or Organolithium Reagents • Reactions with Organometallic Reagents • Reduction of an Ester to an Alcohol • Reduction of an Ester to an Aldehyde • Specialized Acylation Reagents-Carbodiimides and Related Reagents • The Cycloaddition of Dienes to Alkenes Gives Cyclohexenes • Transesterification

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[ 1065267-10-8 ]

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tert-Butyl 3,5-difluoropicolinate

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
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.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
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.
P403 + P235	Store in a well-ventilated place. Keep cool.
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.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Physical hazards
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
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
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
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
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. 1065267-10-8 ] {[proInfo.proName]}

Quality Control of [ 1065267-10-8 ]

Related Doc. of [ 1065267-10-8 ]

Product Details of [ 1065267-10-8 ]

Calculated chemistry of [ 1065267-10-8 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1065267-10-8 ]

Application In Synthesis of [ 1065267-10-8 ]

[ 1065267-10-8 ] Synthesis Path-Downstream 1~16

Technical Information

Related Functional Groups of [ 1065267-10-8 ]

Fluorinated Building Blocks

Esters

Related Parent Nucleus of [ 1065267-10-8 ]

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1065267-10-8 ]

Related Parent Nucleus of
[ 1065267-10-8 ]