[ CAS No. 1000773-62-5 ]

Name: 1000773-62-5|2-(Bromomethyl)-5-(trifluoromethyl)pyridine|98%
Brand: Ambeed
SKU: A145619
Rating: 92 (25 reviews)

{[proInfo.proName]} ,{[proInfo.pro_purity]}

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

HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

2D 3D

Structure of 1000773-62-5 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 100K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 1000773-62-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1000773-62-5 ]

SDS Specification

Alternatived Products of [ 1000773-62-5 ]

Product Details of [ 1000773-62-5 ]

CAS No. :	1000773-62-5	MDL No. :	MFCD11846578
Formula :	C₇H₅BrF₃N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UMXIAVUQROUXKO-UHFFFAOYSA-N
M.W :	240.02	Pubchem ID :	21441094
Synonyms :

Calculated chemistry of [ 1000773-62-5 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.29
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	42.08
TPSA :	12.89 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) :	-6.11 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.09
Log Po/w (XLOGP3) :	2.33
Log Po/w (WLOGP) :	4.0
Log Po/w (MLOGP) :	2.37
Log Po/w (SILICOS-IT) :	3.35
Consensus Log Po/w :	2.83

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.03
Solubility :	0.222 mg/ml ; 0.000925 mol/l
Class :	Soluble
Log S (Ali) :	-2.24
Solubility :	1.38 mg/ml ; 0.00576 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.17
Solubility :	0.016 mg/ml ; 0.0000668 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.04

Safety of [ 1000773-62-5 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405	UN#:	1760
Hazard Statements:	H302-H314	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 1000773-62-5 ]

* 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 [ 1000773-62-5 ]

[ 1000773-62-5 ] Synthesis Path-Downstream 1~24

1
[ 31181-84-7 ]
[ 1000773-62-5 ]

Yield	Reaction Conditions	Operation in experiment
86%	With phosphorus tribromide; In dichloromethane; at 0 - 20℃;	To an ice-cooled solution of (5-trifluoromethyl-pyridin-2-yl)-methanol (300 mg, 1.69 mmol) inDCM (10 mL) is added phosphoros tribromide (96 mul_, 1.02 mmol) and the reaction mixture is stirred for 2 h at room temperature. The reaction mixture is quenched with aqueous sodium bicarbonate solution and extracted with ethyl acetate. The organic layer is dried over MgSO4 and evaporated under reduced pressure.Yield: 350 mg (86% of theory); ESI Mass spectrum: [M+H]+ = 239Retention time HPLC: 1.37 min (method J).
77%	With 1H-imidazole; bromine; triphenylphosphine; In dichloromethane; for 3h;	2-(bromomethyl)-5-(trifluoromethyl)pyridine<strong>[31181-84-7][5-(trifluoromethyl)pyridin-2-yl]methanol</strong> (2.Og, 11.29 mmol) was dissolved in DCM (20 ml_) at r.t. Imidazole (824 mg, 11.9 mmol) was added and allowed to dissolve. Triphenylphosphine (3.36 g, 12.4 mmol) was then added and dissolved. Bromine (0.58 ml_, 11.3 mmol) was added last and stirred for 3 hours. The reaction was quenched water and extracted with dichloromethane (2x 25 ml_). The organics were dried with magnesium sulfate and concentrated. The crude product was purified by flash chromatography (heptanes:ethyl acetate) to give the title compound as a clear liquid (2.1 g, 8.75 mmol, 77%).
		Reference Production Example 2. In 70 mL of tetrahydrofuran, 4.44 g of (5- trifluoromethylpyridin-2-yl) methanol was dissolved and 1.9 mL of methanesulfonyl chloride and 3.5 mL of triethylamine were added dropwise at 00C. After stirring at the same temperature for 0.5 hours, 10% hydrochloric acid was added, followed by extraction with ethyl acetate. The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure, and then the resulting residue was dissolved in 30 mL of N, N-dimethylformamide. To the solution was added 4.4 g of lithium bromide at room temperature. The reaction mixture was heated to 90C and, after stirring for 10 minutes and returning to room temperature, 10% hydrochloric acid was added, followed by extraction with ethyl acetate. The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure, and then the resulting residue was subjected to column chromatography to obtain 1.68 g of 2- bromomethyl-5-trifluoromethylpyridine.1H-NMR (CDCl3, TMS) : delta (ppm) 8.84 (IH, s), 7.94 (IH, dd) ,7.59 (IH, d) , 4,59 (2H, s).

	With phosphorus tribromide; In dichloromethane; at 0 - 20℃; for 3h;	Step (ii): 2-(Bromomethyl)-5-(trifluoromethyl)pyridine To a solution of <strong>[31181-84-7][5-(trifluoromethyl)pyridin-2-yl]methanol</strong> (5.0 g, 28.24 mmol) in DCM (50 ml) was added tribromophosphane (0.58 g, 3.50 mmol) at 0 C. The reaction was allowed to warm to room temperature and stirred for 3 hours. The reaction was then poured into water (50 ml) and the organics were extracted with DCM (2×50 ml), washed with brine, dried over sodium sulfate and concentrated in vacuo to afford the title compound which was used without further purification. MS ES+: 240, 242
	With phosphorus tribromide; In dichloromethane; at 20℃; for 3h;	Intermediate 1 (390.0 mg, 2.2 mmol) was dissolved in DCM (10 mL). 0 C, a solution of PBr3 (387.0 mg, 1.43 mmol) in DCM (2 mL) was added dropwise. The reaction was carried out for 3 hours at room temperature. TLC showed the reaction was completed. The pH was adjusted to 6-7 with saturated NaHCO3 solution, H2O (15 mL) added and DCM extracted (15 mLx3). The combined organic phases were dried over anhydrous sodium sulfate, filtered and concentrated to give the title compound (450.0 mg, 80.0% purity, 68.1% yield).

Reference： [1]Patent: WO2009/103478,2009,A1 .Location in patent: Page/Page column 51
[2]Patent: WO2010/58318,2010,A1 .Location in patent: Page/Page column 78
[3]Patent: WO2009/25397,2009,A1 .Location in patent: Page/Page column 161-162
[4]Patent: US2015/232460,2015,A1 .Location in patent: Paragraph 0667-0668
[5]Patent: CN106831840,2017,A .Location in patent: Paragraph 0105; 0106; 0107

2
[ 1000773-62-5 ]
[ 102687-64-9 ]
[ 1122705-27-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium methylate In methanol at 20℃; for 0.166667h;	7 Production Example 7. In 20 mL of methanol, 500 mg of 2-bromomethyl-5- trifluoromethylpyridine and 488 mg of S- (3,3,3- trifluoropropyl) benzenethioate were dissolved and 0.4 mL of sodium methoxide (28% methanol solution) was added dropwise thereto at room temperature. After stirring at the same temperature for 10 minutes, 10% hydrochloric acid was added to the reaction mixture, followed by extraction with ethyl acetate. The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure, and then the resulting residue was subjected to column chromatography to obtain 400 mg of 5-trifluoromethyl-2- (3,3, 3-trifluoropropylsulfanylmethyl) pyridine (hereinafter referred to as the present compound (7)) . The present compound (7) 1H-NMR (CDCl3, TMS) : δ (ppm) 8.80 (IH, s) , 7.92 (IH, dd) , 7.50 (IH, d) , 3.91 (2H, s), 2.65-2.69 (2H, m) , 2,34-2.46 (2H, m).

Reference： [1]Current Patent Assignee: Sumitomo Chemical (w/o Dongwoo Fine-Chem); SUMITOMO CHEMICAL COMPANY LIMITED - WO2009/25397, 2009, A1 Location in patent: Page/Page column 96-97

3
[ 1000773-62-5 ]
[ 1173155-44-6 ]
[ 1173156-00-7 ]

Yield	Reaction Conditions	Operation in experiment
29%	With potassium carbonate In N,N-dimethyl-formamide; acetonitrile for 72h;	76.a 2-(Bromomethyl)-5-(trifluoromethyl)pyridine (140 mg, 0.58 mmol), tert-hvXy 7- (4-hydroxy-2-oxopyridin4(2H)-yl)-5-methyl-3,4-dihydro-l/f-pyrido[4,3-δ]indole-2(5H)- carboxylate (230 mg, 0.58 mmol) and K2CO3 (160 mg, 1.16 mmol) were stirred in acetonitrile/DMF (3 mL/0.5mL) for 72 h. The mixture was diluted with methylene chloride, washed with water and concentrated to provide the title compound (96 mg, 29%) as a yellow solid: 1H NMR (300 MHz, CDCl3) δ 8.88 (s, IH), 8.00 (dd, J= 8.2, 2.0 Hz, IH), 7.63 (d, J= 8.2 Hz, IH), 7.51 (d, J= 8.2 Hz, IH), 7.36 (d, J= 7.6 Hz, IH), 7.28-7.26 (m, IH), 7.00 (d, J= 7.7 Hz, IH), 6.12 (dd, J= 7.6, 2.7 Hz, IH), 6.04 (d, J= 2.7 Hz, IH), 5.26 (s, 2H), 4.63-4.58 (br m, 2H), 3.87-3.76 (br m, 2H), 3.63 (s, 3H), 2.86-2.76 (br m, 2H), 1.50 (s, 9H).

Reference： [1]Current Patent Assignee: HARMONY BIOSCIENCES - WO2009/89482, 2009, A1 Location in patent: Page/Page column 139

4
[ 1000773-62-5 ]
[ 1227472-59-4 ]
[ 1227473-73-5 ]

Yield	Reaction Conditions	Operation in experiment
84%	Stage #1: tert-butyl (3R)-3-(4-hydroxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate With potassium carbonate In tetrahydrofuran at 20℃; for 0.25h; Stage #2: 2-(bromomethyl)-5-(trifluoromethyl)pyridine In tetrahydrofuran at 70℃; for 6h;	94 tert-butyl (3R)-3-(4-([5-(trifluoromethyl)pyridin-2-yllmethoxy)phenyl)-1-oxa-8-azaspiro[4.5ldecane-8- carboxylate tert-butyl (3R)-3-(4-hydroxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (500 mg, 1.43 mmol) was dissolved in THF (5 ml_) and potassium carbonate (257 mg, 1.86 mmol) added. The reaction was stirred at r.t. for 15 minutes and then 2-(bromomethyl)-5-(trifluoromethyl)pyridine (515 mg, 2.15 mmol) added. The reaction was heated at 70 C for 6 hours at which time it was cooled to r.t. quenched with water and the aqueous phase extracted with ethyl acetate (2x 10 ml_). The organics were dried with magnesium sulfate and concentrated. The crude product was purified by flash chromatography (ethyl acetate heptanes) to give the title compound as a clear oil (590 mg, 1.19 mmol 84%).

Reference： [1]Current Patent Assignee: PFIZER INC - WO2010/58318, 2010, A1 Location in patent: Page/Page column 78-79

5
[ 100366-75-4 ]
[ 1000773-62-5 ]

Reference： [1]Patent: US2015/232460,2015,A1

6
[ 1000773-62-5 ]
tert-butyl N-[(2E)-2-[5-(trifluoromethyl)pyridin-2-yl]methylidene}cyclopentyl]carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: toluene / 17 h / Reflux 2.1: potassium <i>tert</i>-butylate / tetrahydrofuran / 0.5 h / 0 - 20 °C 2.2: 20 °C / Reflux

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED; ENERSYS - US2015/232460, 2015, A1

7
[ 1000773-62-5 ]
tert-butyl N-(2-[5-(trifluoromethyl)pyridin-2-yl]methyl}cyclopentyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: toluene / 17 h / Reflux 2.1: potassium <i>tert</i>-butylate / tetrahydrofuran / 0.5 h / 0 - 20 °C 2.2: 20 °C / Reflux 3.1: palladium 10% on activated carbon; hydrogen; sodium hydroxide / methanol / 2 h

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED; ENERSYS - US2015/232460, 2015, A1

8
[ 1000773-62-5 ]
[ 122-52-1 ]
diethyl [5-(trifluoromethyl)pyridin-2-yl]methyl}phosphonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In toluene for 17h; Reflux;	iii Step (iii): Diethyl [5-(trifluoromethyl)pyridin-2-yl]methyl}phosphonate Step (iii): Diethyl [5-(trifluoromethyl)pyridin-2-yl]methyl}phosphonate To a solution of 2-(bromomethyl)-5-(trifluoromethyl)pyridine (3.0 g, 12.5 mmol) in toluene (100 ml) was added triethyl phosphite (6.2 g, 37.0 mmol). The reaction was refluxed for 17 hours and was then concentrated in vacuo. The resulting residue was purified by column chromatography (silica, 0-50% ethyl acetate n-hexane) to afford the title compound. 1H NMR (400 MHz, DMSO) δ ppm 1.06-1.27 (m, 6H), 3.57-3.65 (m, 2H), 3.95-4.08 (m, 4H), 7.61-7.59 (m, 1H), 8.20-8.18 (m, 1H), 8.90-8.89 (m, 1H) MS ES+: 298

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED; ENERSYS - US2015/232460, 2015, A1 Location in patent: Paragraph 0669-0671

9
[ 1000773-62-5 ]
1,3-dimethyl-5-(cyclohexyloxy)pyrazole-4-carbaldehyde oxime [ No CAS ]
1,3-dimethyl-5-(cyclohexyloxy)pyrazole-4-carbaldehyde O-(5-trifluoromethyl-2-pyridyl)methyl oxime [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
321 mg	With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 16h;	1 To 300 mg (1.23 mmol) of 1,3-dimethyl-5- (cyclohexyloxy) pyrazole-4-carbaldehyde oxime, 5 ml of DMF,804 mg (2.53 mmol) of 2-bromomethyl-5-trifluoromethylpyridine,524 mg (3.80 mmol) of potassium carbonate was added,And the mixture was stirred at room temperature for 16 hours.To the reaction mixture was added 2 M aqueous sodium hydroxide solution,Extraction with ethyl acetate,After drying the organic layer with sodium sulfate,Filtered and concentrated.The obtained residue was subjected to silica gel column chromatography,321 mg of 1,3-dimethyl-5- (cyclohexyloxy) pyrazole-4-carbaldehyde O- (5-trifluoromethyl-2-pyridyl) methyl oxime (compound (1)) was obtained.

Reference： [1]Current Patent Assignee: SUMITOMO CHEMICAL COMPANY LIMITED; Sumitomo Chemical (w/o Dongwoo Fine-Chem) - JP2015/86176, 2015, A Location in patent: Paragraph 0073

10
[ 1000773-62-5 ]
[ 2973-80-0 ]
C₁₄H₉BrF₃NO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
420 mg	With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1.5h; Inert atmosphere;	5.3 Step 3 Synthesis of intermediate 3 Intermediate 2 (447.8 mg, 1.49 mmol) was dissolved in DMF (6 mL) and 2-bromo-5-hydroxybenzaldehyde (250.0 mg, 1.24 mmol) and K2CO3 (206.3 mg, 1.49 mmol) were added with stirring. Under nitrogen, the reaction was carried out at room temperature for 1.5 hours and TLC showed the reaction was completed. H2O (15 mL) was added and EA extracted (15 mL x 3). The combined organic phases were washed with saturated sodium chloride (15 mL x 3), dried over anhydrous sodium sulfate, filtered, concentrated and purified (SiO2, PE: EA = 40: 1) to give the title compound (420.0 mg, 93.8%).

Reference： [1]Current Patent Assignee: NANJING MEDICAL IND MEDICAL TECH; HEFEI YIGONG MEDICINE; HEFEI ENRUITE PHARMACEUTICAL - CN106831840, 2017, A Location in patent: Paragraph 0108; 0109; 0110

11
[ 124236-37-9 ]
[ 1000773-62-5 ]

Reference： [1]Patent: CN106831840,2017,A

12
[ 1000773-62-5 ]
C₂₀H₂₁BF₃NO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 1.5 h / 20 °C / Inert atmosphere 2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 1 h / 100 °C / Ionic liquid

Reference： [1]Current Patent Assignee: NANJING MEDICAL IND MEDICAL TECH; HEFEI YIGONG MEDICINE; HEFEI ENRUITE PHARMACEUTICAL - CN106831840, 2017, A

13
[ 1000773-62-5 ]
C₁₄H₁₁BF₃NO₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 1.5 h / 20 °C / Inert atmosphere 2.1: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 1 h / 100 °C / Ionic liquid 3.1: sodium tetrahydroborate / methanol; tetrahydrofuran / 0.17 h / 0 - 20 °C 3.2: 0.5 h / 20 °C / pH 2 - 3

Reference： [1]Current Patent Assignee: NANJING MEDICAL IND MEDICAL TECH; HEFEI YIGONG MEDICINE; HEFEI ENRUITE PHARMACEUTICAL - CN106831840, 2017, A

14
[ 1000773-62-5 ]
(5RS)-5-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ No CAS ]
(5RS)-5-(pyrrolidin-1-ylcarbonyl)-2-[5-(trifluoromethyl)pyridin-2-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
67%	With caesium carbonate In acetonitrile	23 (5RS)-5-(Pyrrolidin-1-ylcarbonyl)-2-[5-(trifluoromethyl)pyridin-2-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one (Racemate) Example 23 (5RS)-5-(Pyrrolidin-1-ylcarbonyl)-2-[5-(trifluoromethyl)pyridin-2-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one (Racemate) (5RS)-5-(Pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one (racemate) (40.0 mg, 169 μmol) was initially charged in acetonitrile (2.0 ml). Caesium carbonate (82.7 mg, 254 μmol) and 2-(bromomethyl)-5-(trifluoromethyl)pyridine (44.7 mg, 186 μmol) were subsequently added. After stirring overnight, the reaction mixture was admixed at room temperature with water, 1 N aqueous hydrochloric acid and ethyl acetate. The organic phase was removed and the aqueous phase was extracted three times with ethyl acetate. The combined organic phases were washed with saturated aqueous sodium chloride solution, dried over sodium sulphate and filtered, and the filtrate was concentrated. The residue was purified via preparative HPLC (Chromatorex C18, 10 μm, 125 mm*30 mm; eluent: acetonitrile/water gradient). The product-containing fractions were concentrated under reduced pressure, and 44.6 mg (67% of theory) of the title compound were obtained. LC-MS (Method 3): Rt=1.22 min; MS (ESIpos): m/z=396 [M+H]+ 1H-NMR (400 MHz, DMSO-d6) δ[ppm]: -0.149 (0.72), 0.147 (0.71), 1.726 (2.72), 1.738 (3.10), 1.775 (4.76), 1.792 (7.48), 1.809 (5.64), 1.826 (1.77), 1.894 (1.55), 1.911 (4.76), 1.928 (5.91), 1.945 (3.79), 1.962 (1.18), 2.025 (2.84), 2.053 (1.90), 2.328 (0.88), 2.366 (0.64), 2.564 (2.98), 2.574 (2.44), 2.589 (2.03), 2.601 (2.01), 2.613 (3.47), 2.625 (1.98), 2.655 (1.38), 2.669 (1.43), 2.710 (0.77), 3.236 (0.95), 3.253 (1.97), 3.265 (2.17), 3.282 (3.78), 3.329 (2.27), 3.347 (3.67), 3.364 (2.07), 3.377 (2.12), 3.395 (1.00), 3.450 (1.06), 3.467 (2.41), 3.492 (3.06), 3.509 (1.38), 3.599 (1.44), 3.615 (2.87), 3.632 (1.84), 3.640 (2.24), 3.657 (1.00), 4.760 (2.66), 4.775 (3.67), 4.784 (2.76), 5.026 (16.00), 7.383 (4.73), 7.403 (4.96), 8.212 (3.24), 8.233 (3.24), 8.929 (5.73).

Reference： [1]Current Patent Assignee: BAYER AG - US2019/160048, 2019, A1 Location in patent: Paragraph 2352-2355

15
[ 1000773-62-5 ]
methyl (5S)-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate [ No CAS ]
methyl (5S)-3-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]methyl}-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
55%	With caesium carbonate In acetonitrile	Methyl (5S)-3-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]methyl}-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate Methyl (5S)-3-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]methyl}-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate Methyl (5S)-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (187 mg, 947 μmol) was initially charged in acetonitrile (4.0 ml). Caesium carbonate (463 mg, 1.42 mmol) and 2-(bromomethyl)-5-(trifluoromethyl)pyridine (250 mg, 1.04 mmol) were subsequently added. After stirring overnight, the reaction mixture was admixed at room temperature with water, 1 N aqueous hydrochloric acid and ethyl acetate. The organic phase was removed and the aqueous phase was extracted three times with ethyl acetate. The combined organic phases were washed with saturated aqueous sodium chloride solution, dried over sodium sulphate and filtered, and the filtrate was concentrated. The residue was purified via preparative HPLC (Chromatorex C18, 10 μm, 125 mm*30 mm; eluent: acetonitrile/water gradient). The product-containing fractions were concentrated under reduced pressure, and 185 mg (55% of theory) of the title compound were obtained. LC-MS (Method 3): Rt=1.34 min; MS (ESIpos): m/z=357 [M+H]+ 1H-NMR (400 MHz, DMSO-d6) δ[ppm]: 1.560 (0.40), 1.827 (0.50), 1.841 (0.44), 1.851 (0.42), 2.083 (0.45), 2.092 (0.76), 2.106 (0.76), 2.126 (0.45), 2.135 (0.53), 2.147 (0.47), 2.155 (0.52), 2.163 (0.48), 2.559 (0.44), 2.575 (0.90), 2.589 (0.77), 2.601 (0.78), 2.615 (0.64), 2.637 (0.60), 2.649 (1.13), 2.661 (0.72), 2.691 (0.47), 3.715 (16.00), 4.631 (1.05), 4.641 (1.16), 4.647 (1.36), 4.657 (1.01), 5.063 (5.88), 7.396 (1.64), 7.416 (1.71), 8.223 (1.06), 8.228 (1.09), 8.243 (1.02), 8.249 (1.04), 8.935 (1.74).

Reference： [1]Current Patent Assignee: BAYER AG - US2019/160048, 2019, A1 Location in patent: Paragraph 1658-1661

16
[ 1000773-62-5 ]
[ 123-54-6 ]
C₁₂H₁₂F₃NO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate In acetone at 60℃; for 12h;

Reference： [1]Kokkonda, Sreekanth; Deng, Xiaoyi; White, Karen L.; El Mazouni, Farah; White, John; Shackleford, David M.; Katneni, Kasiram; Chiu, Francis C. K.; Barker, Helena; Mclaren, Jenna; Crighton, Elly; Chen, Gong; Angulo-Barturen, Inigo; Jimenez-Diaz, Maria Belen; Ferrer, Santiago; Huertas-Valentin, Leticia; Martinez-Martinez, Maria Santos; Lafuente-Monasterio, Maria Jose; Chittimalla, Rajesh; Shahi, Shatrughan P.; Wittlin, Sergio; Waterson, David; Burrows, Jeremy N.; Matthews, Dave; Tomchick, Diana; Rathod, Pradipsinh K.; Palmer, Michael J.; Charman, Susan A.; Phillips, Margaret A. [Journal of Medicinal Chemistry, 2020, vol. 63, # 9, p. 4929 - 4956]

17
[ 1000773-62-5 ]
ethyl 3,5-dimethyl-4-((5-(trifluoromethyl)pyridin-2-yl)methyl)-1H-pyrrole-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium carbonate / acetone / 12 h / 60 °C 2: acetic acid; zinc / 15 - 20 °C / Heating

18
[ 1000773-62-5 ]
C₁₄H₁₃F₃N₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: potassium carbonate / acetone / 12 h / 60 °C 2: acetic acid; zinc / 15 - 20 °C / Heating 3: sodium hydroxide / water; ethanol / 80 °C

19
[ 1000773-62-5 ]
N-cyclopropyl-3,5-dimethyl-4-((5-(trifluoromethyl)pyridin-2-yl)methyl)-1H-pyrrole-2-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: potassium carbonate / acetone / 12 h / 60 °C 2.1: acetic acid; zinc / 15 - 20 °C / Heating 3.1: sodium hydroxide / water; ethanol / 80 °C 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / N,N-dimethyl-formamide / 0.17 h / 20 °C 4.2: 20 °C

20
[ 1000773-62-5 ]
azetidin-1-yl(3,5-dimethyl-4-((5-(trifluoromethyl)pyridin-2-yl)methyl)-1H-pyrrol-2-yl)methanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: potassium carbonate / acetone / 12 h / 60 °C 2.1: acetic acid; zinc / 15 - 20 °C / Heating 3.1: sodium hydroxide / water; ethanol / 80 °C 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / N,N-dimethyl-formamide / 0.17 h / 20 °C 4.2: 20 °C

21
[ 1000773-62-5 ]
N-cyclobutyl-3,5-dimethyl-4-((5-(trifluoromethyl)pyridin-2-yl)methyl)-1H-pyrrole-2-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: potassium carbonate / acetone / 12 h / 60 °C 2.1: acetic acid; zinc / 15 - 20 °C / Heating 3.1: sodium hydroxide / water; ethanol / 80 °C 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; triethylamine / N,N-dimethyl-formamide / 0.17 h / 20 °C 4.2: 20 °C

22
[ 1000773-62-5 ]
[ 91419-52-2 ]
tert-butyl 4-cyano-4-((5-(trifluoromethyl)pyridin-2-yl)methyl)piperidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
39%	Stage #1: 1-tert-butoxycarbonyl-4-cyanopiperidine With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Stage #2: 2-(bromomethyl)-5-(trifluoromethyl)pyridine In tetrahydrofuran at 20℃; for 16h;	54 Synthesis of A152 To a mixture of tert-butyl 4-cyanopiperidine-1-carboxylate (656 mg, 3.12 mmol) in THF (10 mL) was added dropwise LDA (1.56 mL, 2 M, 3.12 mmol) at -78°C, the mixture was stirred at -78°C for 1 hour, and then 2-(bromomethyl)-5-(trifluoromethyl)pyridine (500 mg, 2.08 mmol) was added. The mixture was warmed to 20°C and stirred for 16 hours. The mixture was poured into water (100 mL) and extracted with EtOAc (3 x 100 mL). The combined organic layers were washed with brine (2x100 mL), dried over Na2SO4, filtered, and concentrated. The residue was purified by flash chromatography (0~30% of EtOAc in PE) to give tert-butyl 4-cyano-4-((5-(trifluoromethyl)pyridin-2-yl)methyl)piperidine-1- carboxylate (0.3 g, 39%).1H NMR (400 MHz, CDCl3) dH 8.85 (s, 1 H), 7.93 (d, 1 H), 7.50 (d, 1 H), 4.23-4.06 (m, 2 H), 3.15-3.10 (m, 2 H), 3.07-2.97 (m, 2 H), 1.95-1.86 (m, 2 H), 1.68- 1.59 (m, 2 H), 1.4-1.45 (m, 9H).

Reference： [1]Current Patent Assignee: SAGE THERAPEUTICS INC - WO2020/243027, 2020, A1 Location in patent: Paragraph 0304-0305

23
[ 1000773-62-5 ]
ethyl 8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate [ No CAS ]
ethyl 8-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]methyl}-4,5-dihydro-2H-furo[2,3-g]indazole-7-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
24%	Stage #1: ethyl 8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate With sodium hydride In N,N-dimethyl-formamide for 0.5h; Cooling with ice; Stage #2: 2-(bromomethyl)-5-(trifluoromethyl)pyridine In N,N-dimethyl-formamide at 20℃; for 0.75h;	1 Intermediate 8: Step 1 ethyl 8-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]methyl}-4,5-dihydro-2H-furo[2,3- g]indazole-7-carboxylate In a modification of GP C (conditions B) an ice-cooled solution of ethyl 8-methyl-4,5- dihydro-1H-furo[2,3-g]indazole-7-carboxylate (commercially available; 1.00 eq., 171 mg, 694 μmol) in DMF (6 mL) was treated with sodium hydride (CAS No. [7646-69-7]; 55% purity, 1.2 eq., 36 mg, 830 μmol) for 30 minutes upon which 2-(bromomethyl)-5- (trifluoromethyl)pyridine (1.20 eq., 200 mg, 833 μmol) was added, the reaction mixture warmed to rt and stirring continued for 45 minutes. The reaction mixture was diluted with sat. aqueous ammonium chloride and EtOAc, the phases were separated, and the aqueous phase extracted with EtOAc. The combined organic phases were dried with Na2SO4, filtrated, concentrated under reduced pressure and the obtained material subjected to column chromatography (Si-NH SiO2, DCM/MeOH) to give the title compound (81 mg, 24%). 1H NMR (400 MHz, DMSO-d6) δ [ppm]: 1.29 (t, 3H), 2.46 (s, 3H), 2.87-2.96 (m, 4H), 4.26 (q, 2H), 5.54 (s, 2H), 7.25 (d, 1H), 7.71 (s, 1H), 8.21 (dd, 1H), 8.95 (d, 1H). UPLC-MS (Method 1): Rt = 1.34 min; MS (ESIpos): m/z = 406 [M+H]+.

Reference： [1]Current Patent Assignee: BAYER AG - WO2021/122415, 2021, A1 Location in patent: Page/Page column 79; 80

24
[ 1000773-62-5 ]
ethyl 8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate [ No CAS ]
8-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]methyl}-4,5-dihydro-2H-furo[2,3-g]indazole-7-carboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / Cooling with ice 1.2: 0.75 h / 20 °C 2.1: lithium hydroxide; water / ethanol; tetrahydrofuran / 70 °C

Reference： [1]Current Patent Assignee: BAYER AG - WO2021/122415, 2021, A1

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 1000773-62-5 ]

Fluorinated Building Blocks

[ 1956318-54-9 ]

2-(Bromomethyl)-3-(trifluoromethyl)pyridine hydrobromide

Similarity: 0.90

[ 780802-57-5 ]

2-(Bromomethyl)-3-(trifluoromethyl)pyridine

Similarity: 0.90

[ 1227606-71-4 ]

2-(Bromomethyl)-4-(trifluoromethyl)pyridine

Similarity: 0.88

[ 1806065-32-6 ]

2-(Bromomethyl)-5-(difluoromethyl)-3-methylpyridine

Similarity: 0.87

Bromides

[ 1956318-54-9 ]

2-(Bromomethyl)-3-(trifluoromethyl)pyridine hydrobromide

Similarity: 0.90

[ 780802-57-5 ]

2-(Bromomethyl)-3-(trifluoromethyl)pyridine

Similarity: 0.90

[ 1227606-71-4 ]

2-(Bromomethyl)-4-(trifluoromethyl)pyridine

Similarity: 0.88

[ 1806065-32-6 ]

2-(Bromomethyl)-5-(difluoromethyl)-3-methylpyridine

Similarity: 0.87

[ 1122705-37-6 ]

2-(1-Bromoethyl)-5-(trifluoromethyl)pyridine

Similarity: 0.85

Trifluoromethyls

[ 1956318-54-9 ]

2-(Bromomethyl)-3-(trifluoromethyl)pyridine hydrobromide

Similarity: 0.90

[ 780802-57-5 ]

2-(Bromomethyl)-3-(trifluoromethyl)pyridine

Similarity: 0.90

[ 1227606-71-4 ]

2-(Bromomethyl)-4-(trifluoromethyl)pyridine

Similarity: 0.88

[ 1122705-37-6 ]

2-(1-Bromoethyl)-5-(trifluoromethyl)pyridine

Similarity: 0.85

[ 31181-54-1 ]

2-Methyl-5-(trifluoromethyl)pyridine

Similarity: 0.85

Related Parent Nucleus of
[ 1000773-62-5 ]

Pyridines

[ 1956318-54-9 ]

2-(Bromomethyl)-3-(trifluoromethyl)pyridine hydrobromide

Similarity: 0.90

[ 780802-57-5 ]

2-(Bromomethyl)-3-(trifluoromethyl)pyridine

Similarity: 0.90

[ 1227606-71-4 ]

2-(Bromomethyl)-4-(trifluoromethyl)pyridine

Similarity: 0.88

[ 1806065-32-6 ]

2-(Bromomethyl)-5-(difluoromethyl)-3-methylpyridine

Similarity: 0.87

[ 1122705-37-6 ]

2-(1-Bromoethyl)-5-(trifluoromethyl)pyridine

Similarity: 0.85

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
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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. 1000773-62-5 ]

Quality Control of [ 1000773-62-5 ]

Related Doc. of [ 1000773-62-5 ]

Product Details of [ 1000773-62-5 ]

Calculated chemistry of [ 1000773-62-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1000773-62-5 ]

Application In Synthesis of [ 1000773-62-5 ]

[ 1000773-62-5 ] Synthesis Path-Downstream 1~24

Related Functional Groups of [ 1000773-62-5 ]

Fluorinated Building Blocks

Bromides

Trifluoromethyls

Related Parent Nucleus of [ 1000773-62-5 ]

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1000773-62-5 ]

Related Parent Nucleus of
[ 1000773-62-5 ]