[ CAS No. 1029712-80-8 ] {[proInfo.proName]}

Name: 1029712-80-8|2-Fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide|99%
Brand: Ambeed
SKU: A193720
Price: 14.0 USD
Availability: InStock
Rating: 90 (29 reviews)

,{[proInfo.pro_purity]}

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

2D 3D

Structure of 1029712-80-8 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 1029712-80-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1029712-80-8 ]

SDS Specification

Alternatived Products of [ 1029712-80-8 ]

Product Details of [ 1029712-80-8 ]

CAS No. :	1029712-80-8	MDL No. :	MFCD18633285
Formula :	C₂₃H₁₇FN₆O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LIOLIMKSCNQPLV-UHFFFAOYSA-N
M.W :	412.42	Pubchem ID :	25145656
Synonyms :	INCB28060;INC280;NVP-INC280

Calculated chemistry of [ 1029712-80-8 ]

Physicochemical Properties

Num. heavy atoms :	31
Num. arom. heavy atoms :	25
Fraction Csp3 :	0.09
Num. rotatable bonds :	5
Num. H-bond acceptors :	6.0
Num. H-bond donors :	1.0
Molar Refractivity :	113.93
TPSA :	85.07 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.73 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.15
Log Po/w (XLOGP3) :	2.94
Log Po/w (WLOGP) :	3.85
Log Po/w (MLOGP) :	2.8
Log Po/w (SILICOS-IT) :	3.71
Consensus Log Po/w :	3.09

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.52
Solubility :	0.0126 mg/ml ; 0.0000305 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.39
Solubility :	0.0169 mg/ml ; 0.0000409 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.66
Solubility :	0.0000009 mg/ml ; 0.0000000022 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.28

Safety of [ 1029712-80-8 ]

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 [ 1029712-80-8 ]

* 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.

Upstream synthesis route of [ 1029712-80-8 ]
Downstream synthetic route of [ 1029712-80-8 ]

[ 1029712-80-8 ] Synthesis Path-Upstream 1~2

1
[ 1029714-88-2 ]
[ 74-89-5 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
85.4%	Stage #1: With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate In tetrahydrofuran; N,N-dimethyl-formamide at 20 - 30℃; Stage #2: With triethylamine In tetrahydrofuran; N,N-dimethyl-formamide at 20℃;	Example 20 2-Fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide (15) A suspension of 2-fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzoic acid (14, 431.4 g, 0.914 mol, 1.0 equiv) and (benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate (PyBOP, 570 g, 1.1 mol, 1.2 equiv) in N,N-dimethylformamide (DMF, 3700 mL) was treated with a solution of 2 M methylamine in THF (1830 mL, 3.656 mol, 4.0 equiv) over 15 min at room temperature. The reaction temperature increased to 30° C. during the addition of methylamine and the reaction mixture became homogeneous once the addition of methylamine was complete. Triethylamine (TEA, 382 mL, 2.742 mol, 3.0 equiv) was then added to the reaction mixture and the resulting reaction mixture was stirred at room temperature for 2-4 h. When LC/MS showed the coupling reaction was deemed complete, the reaction mixture was treated with water (950 mL). The resulting suspension was cooled down to 0-5° C. in an ice-bath and stirred at 0-5° C. for 30 min. The solids were collected by filtration and washed with water (200 mL). The wet solid cake was then suspended in a mixture of water and acetonitrile (1/1 by volume, 2000 mL) and the resulted suspension was stirred at room temperature for 1 h. The solids were collected by filtration, washed with water and acetonitrile, and dried in a vacuum oven at 40-45° C. to constant weight to afford 2-fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide (15, 322 g, 377 g theoretical, 85.4percent yield) as yellow to bright-yellow powders.

Reference： [1] Patent: US2009/291956, 2009, A1, . Location in patent: Page/Page column 24-25
[2] Patent: WO2008/64157, 2008, A1, . Location in patent: Page/Page column 45

2
[ 74-89-5 ]
[ 1029712-80-8 ]

Reference： [1] Patent: US2009/291956, 2009, A1, . Location in patent: Page/Page column 28-29

[ 1029712-80-8 ] Synthesis Path-Downstream 1~25

1
[ 1029714-88-2 ]
[ 74-89-5 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
85.4%		Example 20 2-Fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide (15) A suspension of 2-fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzoic acid (14, 431.4 g, 0.914 mol, 1.0 equiv) and (benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate (PyBOP, 570 g, 1.1 mol, 1.2 equiv) in N,N-dimethylformamide (DMF, 3700 mL) was treated with a solution of 2 M methylamine in THF (1830 mL, 3.656 mol, 4.0 equiv) over 15 min at room temperature. The reaction temperature increased to 30 C. during the addition of methylamine and the reaction mixture became homogeneous once the addition of methylamine was complete. Triethylamine (TEA, 382 mL, 2.742 mol, 3.0 equiv) was then added to the reaction mixture and the resulting reaction mixture was stirred at room temperature for 2-4 h. When LC/MS showed the coupling reaction was deemed complete, the reaction mixture was treated with water (950 mL). The resulting suspension was cooled down to 0-5 C. in an ice-bath and stirred at 0-5 C. for 30 min. The solids were collected by filtration and washed with water (200 mL). The wet solid cake was then suspended in a mixture of water and acetonitrile (1/1 by volume, 2000 mL) and the resulted suspension was stirred at room temperature for 1 h. The solids were collected by filtration, washed with water and acetonitrile, and dried in a vacuum oven at 40-45 C. to constant weight to afford 2-fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide (15, 322 g, 377 g theoretical, 85.4% yield) as yellow to bright-yellow powders.
		2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[l,2-b][l,2,4]triazin-2-yl]benzoic acid (0.350 g,0.876 mmol) and (benzotriazol- 1 -yloxy)tripyrrolidinophosphonium hexafluorophosphate (540 mg, 1.0 mmol) in N,N-dimethylformamide (5.0 mL) were stirred at ambient temperature for 3 min. A solution of 2M methylamine in THF (3.0 mL) was slowly added at 0 0C followed by triethylamine (0.61 mL, 4.4 mmol) and the reaction mixture was stirred for 2 h at ambient temperature. The reaction mixture was concentrated under reduced pressure to afford a yellow solid. Water (1.0 mL) was added and the solid was filtered and washed with acetonitrile and water. The yellow solid (260 mg) was shown to be the desired product by LCMS as the free base. The solid was then treated with 1.05 equivalents of hydrochloric acid to form the hydrochloric acid salt. The mother liquor was further purified by preparative HPLC to give another batch of the product. (~ 90 %) LCMS: (M+H) = 413.0.

Reference： [1]Patent: US2009/291956,2009,A1 .Location in patent: Page/Page column 24-25
[2]Patent: WO2008/64157,2008,A1 .Location in patent: Page/Page column 45

2
[ 1029712-80-8 ]
2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride;	2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[l,2-b][l,2,4]triazin-2-yl]benzoic acid (0.350 g,0.876 mmol) and (benzotriazol- 1 -yloxy)tripyrrolidinophosphonium hexafluorophosphate (540 mg, 1.0 mmol) in N,N-dimethylformamide (5.0 mL) were stirred at ambient temperature for 3 min. A solution of 2M methylamine in THF (3.0 mL) was slowly added at 0 0C followed by triethylamine (0.61 mL, 4.4 mmol) and the reaction mixture was stirred for 2 h at ambient temperature. The reaction mixture was concentrated under reduced pressure to afford a yellow solid. Water (1.0 mL) was added and the solid was filtered and washed with acetonitrile and water. The yellow solid (260 mg) was shown to be the desired product by LCMS as the free base. The solid was then treated with 1.05 equivalents of hydrochloric acid to form the hydrochloric acid salt. The mother liquor was further purified by preparative HPLC to give another batch of the product. (~ 90 %) LCMS: (M+H) = 413.0.

Reference： [1]Patent: WO2008/64157,2008,A1 .Location in patent: Page/Page column 45

3
C₂₂H₁₃ClFN₅O [ No CAS ]
[ 74-89-5 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran; at 20℃;Cooling;Product distribution / selectivity;	Method B. 2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid dihydrochloride (14, 50.00 g, 0.1059 mol) was added toluene (300 mL) and followed by thionyl chloride (SOCl2, 77.2 mL, 1.06 mol, 10.0 equiv) at room temperature. The resulting reaction mixture was heated at 72 C. under N2 and the reaction was followed by HPLC analysis of the disappearance of the starting material benzoic acid (14). After 48 h, HPLC indicated ~4% starting material remaining and the reaction was stopped. The reaction mixture was concentrated to dryness by vacuum distillation at 40-50 C. The residual solids were added toluene (300 mL) and the solvent was removed by vacuum distillation at 40-50 C. THF (250 mL) was added and the mixture was cooled with an ice-water bath. A 2.0 M of methylamine (MeNH2) in THF (529 mL, 1.06 mol, 10 equiv) was added dropwise. The resulting reaction mixture was allowed to warm up to room temperature and stirred at room temperature for 17 h. Water (600 mL) was added to the reaction mixture and THF (400-500 mL) was removed by vacuum distillation at 40 C. Sodium carbonate (15.60 g, 0.147 mol) was added and the mixture was stirred at room temperature for 30 min. The mixture was filtered and the solid was washed with water (330 mL) and dried. The solid was dissolved in pre-mixed methylene chloride (CH2Cl2, 1000 mL) and methanol (MeOH, 300 mL). With vigorous stirring, a solution of 0.236 M of sodium carbonate (Na2CO3) in water (1000 mL) was added dropwise. Solid was slowly precipitated out after addition of aqueous solution of sodium carbonate (Na2CO3). Hexane (1000 mL) was then added dropwise with stirring. The mixture was stirred at room temperature for 30-40 min and the solids were collected by filtration. The solids collected were washed with water (3200 mL) and dried in vacuum at 40-50 C. to constant weight to afford 2-fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide (15, 42.2 g, 43.67 g theoretical, 96.6% yield) as a bright yellow solid, which was found to be identical to the material made by Method A in every comparable aspect.

Reference： [1]Patent: US2009/291956,2009,A1 .Location in patent: Page/Page column 28-29

4
[ 1029712-80-8 ]
[ 98-11-3 ]
2-fluoro-N-methyl-4-[7-(quinolin-6-yl-methyl)-imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide dibenzenesulfonic acid salt [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96%	In methanol; isopropyl alcohol; at 55℃;	Example 5 Preparation of 2-Fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazolo[1,2-b][1,2,4]triazin-2-yl]benzamide dibenzenesulfonic acid salt A suspension of 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazolo[1,2-b][1,2,4]triazin-2-yl]benzamide (500 mg, 1.212 mmol) in methanol (MeOH, 12 mL) was heated to 55 C. before a premixed solution of benzenesulfonic acid (578 mg, 3.65 mmol, 3.01 equiv) in isopropyl alcohol (IPA, 3.66 mL) was added dropwise at 55 C. The resulting clear solution was stirred at 55 C. for 30 min before methyl tert-butyl ether (MTBE, 12 mL) was added dropwise via an additional funnel. The solids were slowly precipitated out after addition of methyl tert-butyl ether. The resulting mixture was stirred at 55 C. for one an additional hour before being gradually cooled down to room temperature. The mixture was stirred at room temperature overnight. The solids were collected by filtration, washed with methyl tert-butyl ether (MTBE, 2*10 mL), and dried in vacuum oven at 45-55 C. to constant weight. The desired dibenzenesulfonic acid product (848 mg, 883.3 mg theoretical, 96% yield) was obtained as off-white crystalline solids. M.p. (decom.) 270.5 C.; 1H NMR (400 MHz, DMSO-d6) delta ppm 9.51 (s, 1H), 9.30 (dd, 1H, J=5.4 Hz, 1.4 Hz), 9.13 (d, 1H, J=8.3 Hz), 8.45 (m, 1H), 8.36 (d, 1H, J=0.9 Hz), 8.30 (s, 1H), 8.21 (dd, 2H, J=9.0 Hz, 1.8 Hz), 8.10-8.04 (m, 3H), 7.80 (dd, 1H, J=7.5 Hz, 8.3 Hz), 7.62-7.56 (m, 4H), 7.33-7.27 (m, 6H), 4.79 (s, 2H), 2.78 (d, 3H, J=4.5 Hz); 19F NMR (376.3 MHz, DMSO-d6) delta ppm -113.2; C23H17FN6O (free base, MW 412.42), LCMS (EI) m/e 413.0 (M++H) and 435.0 (M-+Na).

Reference： [1]Patent: US2009/291956,2009,A1 .Location in patent: Page/Page column 17-18

5
[ 1029712-80-8 ]
2-fluoro-N-methyl-4-[7-(quinolin-6-yl-methyl)-imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide dihydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
95%	With hydrogenchloride; In methanol; water; isopropyl alcohol; at 55℃;Product distribution / selectivity;	Example 1 Preparation of 2-Fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazolo[1,2-b][1,2,4]triazin-2-yl]benzamide dihydrochloric acid salt A suspension of 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazolo[1,2-b][1,2,4]triazin-2-yl]benzamide (421.2 g, 1.021 mol) (see U.S. Ser. No. 11/942,130 for preparation, the disclosure of which is incorporated herein by reference in its entirety) in methanol (MeOH, 6600 mL) was heated to 55 C. before a premixed solution of aqueous concentrated hydrochloric acid (conc. HCl, 37 wt. %, 12 M, 420 mL, 5.10 mol, 5.0 equiv) in isopropyl alcohol (IPA, 1510 mL) was added dropwise at 55 C. The resulting clear solution was stirred at 55 C. for 30 min before methyl tert-butyl ether (MTBE, 6750 mL) was added via an addition funnel over 30 min. The solids were slowly precipitated out after addition of methyl tert-butyl ether. The resulting mixture was stirred at 55 C. for an additional 1 h before being gradually cooled down to room temperature. The mixture was stirred at room temperature overnight. The solids were collected by filtration, washed with methyl tert-butyl ether (MTBE, 3*500 mL), and dried in vacuum oven at 45-55 C. to constant weight. The desired 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazolo[1,2-b][1,2,4]triazin-2-yl]benzamide dihydrochloride (470.7 g, 495.5 g theoretical, 95% yield) was obtained as an off-white to light yellow crystalline solid. M.p. (decom.) 222 C.; 1H NMR (400 MHz, DMSO-d6) delta ppm 9.46 (s, 1H), 9.25 (dd, 1H, J=5.4 Hz, 1.4 Hz), 9.12 (d, 1H, J=8.3 Hz), 8.51 (m, 1H), 8.47 (d, 1H, J=0.9 Hz), 8.34 (d, 1H, J=1.3 Hz), 8.23 (s, 1H), 8.21 (dd, 1H, J=9.0 Hz, 1.8 Hz), 8.09-8.02 (m, 3H), 7.79 (dd, 1H, J=7.5 Hz, 8.3 Hz), 4.77 (s, 2H), 2.78 (s, 3H, J=4.5 Hz); 13C NMR (100 MHz, DMSO-d6) delta ppm 163.4, 159.4 (d, J=249.9 Hz), 145.8, 145.4, 144.5, 143.8, 140.4, 138.8, 136.8, 135.9, 135.7 (J=8.6 Hz), 131.2 (J=3.1 Hz), 130.7, 128.7, 128.2, 126.2 (J=14.9 Hz), 126.0, 123.1 (J=3 Hz), 122.5, 121.0, 114.9 (J=5.6 Hz), 28.4, 26.3; 19F NMR (376.3 MHz, DMSO-d6) delta ppm -113.2; C23H17FN6O (free base, MW 412.42), LCMS (EI) m/e 413.1 (M++H) and 435.0 (M++Na).

Reference： [1]Patent: US2009/291956,2009,A1 .Location in patent: Page/Page column 16-17

6
[ 1029712-80-8 ]
2-fluoro-N-(methyl-d3)-4-[7-[(quinolin-6-yl)methyl]imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide [ No CAS ]

Reference： [1]Patent: CN110526916,2019,A

7
[ 1029712-80-8 ]
[ 24424-99-5 ]
2-fluoro-N-boc-N-methyl-4-[7-[(quinolin-6-yl)methyl]imidazo[1,2-b][1,2,4]triazine-2-yl]benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
39%	With dmap; In dichloromethane; chloroform; at 40℃;	Compound 1-1 (Capmatinib, purchased from Shanghai Hanxiang Biotechnology Co., Ltd., 60 mg, 0.15 mmol), 4-dimethylaminopyridine (DMAP, 183 mg, 1.5 mmol), Boc anhydride (229 mg, 1 mmol) was added to 4 mL of di Chloromethane / chloroform (1: 1) mixed solvent. After stirring at 40 C overnight, the reaction solution was concentrated and purified by preparative thin layer chromatography to obtain 30 mg of the target product in a yield of 39%.

Reference： [1]Patent: CN110526916,2019,A .Location in patent: Paragraph 0052-0057

8
[ 1029712-80-8 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
85.1%	With 3-chloro-benzenecarboperoxoic acid In methanol; dichloromethane at 0 - 20℃; for 16h;	To a stirred solution of compound 3 (13 g, 31.52 mmol) in dichloromethane (500 mL) and methanol (100 mL) at 0°C, 3-chloroperbenzoic acid (~75%; 11 g, 47.81 mmol) was added and the reaction mixture was stirred at room temperature for 16 h.The reaction mixture was quenched with saturated sodium sulfite solution and saturated sodium bicarbonate solution at 0°C. The precipitated solid was filtered, washed with water and then with acetonitrile, and dried to get compound 4 as a yellow solid (11.5 g, 85.1%).

9
[ 1029712-80-8 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 3-chloro-benzenecarboperoxoic acid / methanol; dichloromethane / 16 h / 0 - 20 °C 2: p-toluenesulfonyl chloride; potassium carbonate / water / 72 h / 0 - 20 °C 3: acetonitrile

10
[ 1029712-80-8 ]
[ 2570947-98-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid / methanol; dichloromethane / 16 h / 0 - 20 °C 2: p-toluenesulfonyl chloride; potassium carbonate / water / 72 h / 0 - 20 °C

11
[ 1029714-87-1 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: water; hydrogenchloride / 16 h / 105 °C 2: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3 h / 0 - 20 °C
	Multi-step reaction with 2 steps 1.1: tetrabutyl-ammonium chloride; dihydrogen peroxide; sodium hydroxide / dichloromethane; water / 20 °C 2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 0 - 5 °C 2.2: 2 h / 60 °C
	Multi-step reaction with 2 steps 1.1: hydrogenchloride; water / 20 h / 100 °C / Large scale 2.1: 1,1'-carbonyldiimidazole / 1-methyl-pyrrolidin-2-one / 0 °C / Large scale 2.2: 8 h / 15 - 25 °C / Large scale

Reference： [1]Glaenzel, Ulrike; Jin, Yi; Hansen, Regine; Schroer, Kirsten; Rahmanzadeh, Gholamreza; Pfaar, Ulrike; Van Lier, Jan Jaap; Borell, Hubert; Meissner, Axel; Camenisch, Gian; Zhao, Sylvia [Drug Metabolism and Disposition, 2020, vol. 48, # 10, p. 873 - 885]
[2]Current Patent Assignee: Lian Qingquan - CN111825678, 2020, A
[3]Current Patent Assignee: NOVARTIS AG; Novartis (w/o Sandoz) - WO2021/165818, 2021, A1

12
[ 1029713-99-2 ]
[ 77-78-1 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
90%	Stage #1: 2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 5℃; for 0.5h; Stage #2: dimethyl sulfate In N,N-dimethyl-formamide; mineral oil at 60℃; for 2h;	1.2 Step 2: Preparation of camatinib Add DMF 500ml, 20.0g (0.05mol) of formula II compound to a 2L reaction flask, stir to dissolve, cool to 0-5°C, add 2.4g (0.06mol) 60% sodium hydride in mineral oil in batches, and complete the addition, Stirring for 0.5 hours, adding 7.5 g (0.06 mol) of dimethyl sulfate dropwise, after dropping, slowly increasing to 60° C. and reacting for 2 hours. After the reaction is complete, add dilute hydrochloric acid dropwise to quench, concentrate under reduced pressure to remove part of the solvent, pour into water, extract with ethyl acetate, adjust the aqueous phase to alkaline, extract with ethyl acetate, wash with water, concentrate the organic phase to obtain 18.6 g of yellow solid, it is the title compound, the yield is 90%, and the HPLC purity is 99.5%.

Reference： [1]Current Patent Assignee: Lian Qingquan - CN111825678, 2020, A Location in patent: Paragraph 0034-0035; 0038-0039

13
[ 1197377-47-1 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: ethylene glycol / 2 h / 110 °C / Large scale 2.1: hydrogenchloride; water / 20 h / 100 °C / Large scale 3.1: 1,1'-carbonyldiimidazole / 1-methyl-pyrrolidin-2-one / 0 °C / Large scale 3.2: 8 h / 15 - 25 °C / Large scale

Reference： [1]Current Patent Assignee: Novartis (w/o Sandoz); NOVARTIS AG - WO2021/165818, 2021, A1

14
[ 1197377-34-6 ]
[ CAS Unavailable ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
146 kg	Stage #1: 2-fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzoic acid dihydrochloride With 1,1'-carbonyldiimidazole In 1-methyl-pyrrolidin-2-one at 0℃; Large scale; Stage #2: methylamine In 1-methyl-pyrrolidin-2-one at 15 - 25℃; for 8h; Large scale;	10 Example 10: 2-Fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2- yl)benzamide A suitable vessel is charged with 1-Methyl-2-pyrrolidone (NMP, 1470 kg). 2-Fluoro-4-(7- (quinolin-6-ylmethyl)imidazo[1 ,2-b][1 ,2,4]triazin-2-yl)benzoic acid dihydrochloride (188 kg of unpurified material from previous step, corresponding to 151 kg of free base) is charged followed by an NMP rinse (344 kg). The mixture is homogenized at 30°C, cooled to inner temperature 0 °C and carbonyldiimidazole (CDI, 125 kg, 2.05 eq.) is added portionwise. The mixture is stirred at inner temperature 0 °C until conversion of 2-fluoro-4-(7-(quinolin-6- ylmethyl)imidazo[1 ,2-b][1 ,2,4]triazin-2-yl)benzoic acid is completed as confirmed by in-process control check. The reaction mixture is evacuated to remove the liberated C02. Methylamine (29.4 kg, 2.5 eq.) is charged to the reactor, keeping the inner temperature <15 °C (target 0-5 °C). The reaction mixture is heated to an inner temperature of 25 °C and is stirred for a minimum of 8 hours until in-process check determines that 2-fluoro-N-methyl-4-(7-(quinolin-6- ylmethyl)imidazo[1 ,2-b][1 ,2,4]triazin-2-yl)benzamide has been formed. Some 2-fluoro-N-methyl- 4-(7-(quinolin-6-ylmethyl)imidazo[1 ,2-b][1 ,2,4]triazin-2-yl)benzamide will precipitate during this stirring period. Water (1114 kg) is added completing the precipitation. The resulting suspension is stirred for a minimum of 10 hours, is filtered and washed with water (3 x 371 kg). Pre-drying at 20°C and drying at 70°C under reduced pressure gives 2-fluoro-N-methyl-4-(7-(quinolin-6- ylmethyl)imidazo[1 ,2-b][1 ,2,4]triazin-2-yl)benzamide as yellow solid (146 kg, 94%). 1H NMR (500 MHz, DMSO-c/6): d = 2.81 (d, J = 4.6 Hz, 3 H), 4.64 (s, 2 H), 7.50 (dd, J = 8.3, 4.2 Hz, 1 H), 7.77-7.82 (m, 2 H), 7.96-7.99 (m, 2 H), 8.00 (s, 1 H), 8.02-8.06 (m, 2 H), 8.30 (dd, J = 8.3, 1 .8 Hz, 1 H), 8.41 (br. dd, J = 4.6, 1 .7 Hz, 1 H), 8.84 (dd, J = 4.2, 1 .7 Hz, 1 H), 9.22 (s, 1 H) ppm.

Reference： [1]Current Patent Assignee: NOVARTIS AG; Novartis (w/o Sandoz) - WO2021/165818, 2021, A1 Location in patent: Paragraph 9; 15-16

15
[ CAS Unavailable ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: sodium hydroxide / isopropyl alcohol; water / 20 h / 70 - 90 °C 2.1: ethylene glycol / 2 h / 110 °C / Large scale 3.1: hydrogenchloride; water / 20 h / 100 °C / Large scale 4.1: 1,1'-carbonyldiimidazole / 1-methyl-pyrrolidin-2-one / 0 °C / Large scale 4.2: 8 h / 15 - 25 °C / Large scale

Reference： [1]Current Patent Assignee: NOVARTIS AG; Novartis (w/o Sandoz) - WO2021/165818, 2021, A1

16
[ 1029714-85-9 ]
[ 1635407-78-1 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	In diethylene glycol at 120℃; for 2h; Inert atmosphere;	3.A Method A 1.0 g of 4-(3-amino-1,2,4-triazine-6-yl)-2-fluoro-N-methylbenzamide (compound 4) was added to the reaction flask,2-Chloro-3-(quinolin-6-yl)propanal (Compound 5-1) 1.33 g and 10 ml of ethylene glycol.After the reaction system was replaced with nitrogen, the temperature was raised to 120° C. and stirred for 2 hours. When the raw materials were basically reacted, the reaction system was lowered to room temperature, and 20 ml of purified water was added dropwise to the reaction system.After the dropwise addition, the mixture was stirred at room temperature for 0.5 h, and then filtered.Then put the filter cake in a reaction flask, add 20 ml of a mixed solvent of DMF/MTBE (DMF:MTBE=1:5), reflux and beat for 1 hour and then drop to room temperature,Filtration and the resulting filter cake were washed with MTBE. After drying, the title compound is obtained.

Reference： [1]Current Patent Assignee: SICHUAN COREN PHARMACEUTICAL RES INSTITUTE - CN114621155, 2022, A Location in patent: Paragraph 0084-0088

17
[ 1197377-31-3 ]
[ 1635407-78-1 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
63.8%	In diethylene glycol at 120℃; for 2h; Inert atmosphere;	4.B Method B 2.80 g of 4-(3-amino-1,2,4-triazine-6-yl)-2-fluoro-N-methylbenzamide (compound 4) was added to the reaction flask, 1-(2-Chloro-1-hydroxy-3-(quinolin-6-yl)propyl)pyrrolidine-2,5-dione (compound 5-2) 4.31 g and 28 ml of ethylene glycol. After the reaction system was replaced with nitrogen, the temperature was raised to 120 °C. and stirred for 2 hours. When the raw materials were basically reacted, the reaction system was lowered to room temperature, and 60 ml of purified water was added dropwise to the reaction system.After the dropwise addition, the mixture was stirred at room temperature for 0.5 h and filtered.The filter cake was then placed in a reaction flask, 60 ml of a mixed solvent of DMF/MTBE (DMF:MTBE=1:5) was added and refluxed for 1 hour, then cooled to room temperature, filtered, and the obtained filter cake was washed with MTBE. After the obtained filter cake was dried, 2.97 g of the title compound was obtained, the yield was 63.8%, and the HPLC purity was over 97%.

Reference： [1]Current Patent Assignee: SICHUAN COREN PHARMACEUTICAL RES INSTITUTE - CN114621155, 2022, A Location in patent: Paragraph 0089-0093

18
[ 1635407-78-1 ]
[ 476660-18-1 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 3-(quinolin-6-yl)propanal With N-chloro-succinimide; <i>L</i>-proline In chloroform at 20℃; for 2h; Stage #2: 4-(3-amino-1,2,4-triazin-6-yl)-2-fluoro-N-methylbenzamide In diethylene glycol at 120℃; for 2h;	5.C Method C 2.00 g of 3-(quinolin-6-yl)propanal (compound 5-3) was added to the reaction flask,Then 10 ml of chloroform was added, and after it was completely dissolved, 0.2 g of L-proline and 1.58 g of NCS were sequentially added to the reaction system.The reaction system was reacted at room temperature for 2 h and then concentrated,To the concentrated residue were added 2.14 g of 4-(3-amino-1,2,4-triazin-6-yl)-2-fluoro-N-methylbenzamide (compound 4) and 20 ml of ethylene glycol.After the reaction system was replaced with nitrogen, the temperature was raised to 120° C. and stirred for 2 hours. When the raw materials were basically reacted, the reaction system was lowered to room temperature, and 40 ml of purified water was added dropwise to the reaction system.After the dropwise addition, the mixture was stirred at room temperature for 0.5 h and filtered.Then put the filter cake in a reaction flask, add 40 ml of a mixed solvent of DMF/MTBE (DMF:MTBE=1:5), reflux for 1 hour and then drop to room temperature,Filtration and the resulting filter cake were washed with MTBE. The title compound was obtained after drying of the obtained filter cake. The NMR data were consistent with Example 3.

Reference： [1]Current Patent Assignee: SICHUAN COREN PHARMACEUTICAL RES INSTITUTE - CN114621155, 2022, A Location in patent: Paragraph 0094-0097

19
[ 476660-18-1 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: <i>L</i>-proline / chloroform / 5 - 20 °C / Inert atmosphere 2: diethylene glycol / 2 h / 120 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: SICHUAN COREN PHARMACEUTICAL RES INSTITUTE - CN114621155, 2022, A

20
[ 749927-69-3 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; anhydrous potassium acetate / 1,4-dioxane / 2 h / 80 °C / Inert atmosphere 2.1: potassium carbonate; palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride / 1,4-dioxane; lithium hydroxide monohydrate / 2 h / 80 °C / Inert atmosphere 2.2: 1 h / 10 - 20 °C / Inert atmosphere 3.1: diethylene glycol / 2 h / 120 °C / Inert atmosphere
	Multi-step reaction with 3 steps 1.1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; anhydrous potassium acetate / 1,4-dioxane / 2 h / 80 °C / Inert atmosphere 2.1: potassium carbonate; palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride / 1,4-dioxane; lithium hydroxide monohydrate / 2 h / 80 °C / Inert atmosphere 2.2: 1 h / 10 - 20 °C / Inert atmosphere 3.1: diethylene glycol / 2 h / 120 °C / Inert atmosphere
	Multi-step reaction with 3 steps 1.1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; anhydrous potassium acetate / 1,4-dioxane / 2 h / 80 °C / Inert atmosphere 2.1: potassium carbonate; palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride / 1,4-dioxane; lithium hydroxide monohydrate / 2 h / 80 °C / Inert atmosphere 2.2: 1 h / 10 - 20 °C / Inert atmosphere 3.1: <i>L</i>-proline; N-chloro-succinimide / chloroform / 2 h / 20 °C 3.2: 2 h / 120 °C

Reference： [1]Current Patent Assignee: SICHUAN COREN PHARMACEUTICAL RES INSTITUTE - CN114621155, 2022, A
[2]Current Patent Assignee: SICHUAN COREN PHARMACEUTICAL RES INSTITUTE - CN114621155, 2022, A
[3]Current Patent Assignee: SICHUAN COREN PHARMACEUTICAL RES INSTITUTE - CN114621155, 2022, A

21
[ 5332-25-2 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: 9-bora-bicyclo[3.3.1]nonane / 5 - 20 °C / Inert atmosphere 1.2: 3 h / 65 °C / Inert atmosphere 2.1: hydrogenchloride / lithium hydroxide monohydrate; ethyl acetate / 2 h / 5 °C 3.1: <i>L</i>-proline; N-chloro-succinimide / chloroform / 2 h / 20 °C 3.2: 2 h / 120 °C
	Multi-step reaction with 4 steps 1.1: 9-bora-bicyclo[3.3.1]nonane / 5 - 20 °C / Inert atmosphere 1.2: 3 h / 65 °C / Inert atmosphere 2.1: hydrogenchloride / lithium hydroxide monohydrate; ethyl acetate / 2 h / 5 °C 3.1: <i>L</i>-proline / chloroform / 5 - 20 °C / Inert atmosphere 4.1: diethylene glycol / 2 h / 120 °C / Inert atmosphere
	Multi-step reaction with 4 steps 1.1: 9-bora-bicyclo[3.3.1]nonane / 5 - 20 °C / Inert atmosphere 1.2: 3 h / 65 °C / Inert atmosphere 2.1: hydrogenchloride / lithium hydroxide monohydrate; ethyl acetate / 2 h / 5 °C 3.1: <i>L</i>-proline; N-chloro-succinimide / chloroform / 1 h / 0 - 20 °C 4.1: diethylene glycol / 2 h / 120 °C / Inert atmosphere

22
[ 1197377-26-6 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: hydrogenchloride / lithium hydroxide monohydrate; ethyl acetate / 2 h / 5 °C 2.1: <i>L</i>-proline; N-chloro-succinimide / chloroform / 2 h / 20 °C 2.2: 2 h / 120 °C
	Multi-step reaction with 3 steps 1: hydrogenchloride / lithium hydroxide monohydrate; ethyl acetate / 2 h / 5 °C 2: <i>L</i>-proline / chloroform / 5 - 20 °C / Inert atmosphere 3: diethylene glycol / 2 h / 120 °C / Inert atmosphere
	Multi-step reaction with 3 steps 1: hydrogenchloride / lithium hydroxide monohydrate; ethyl acetate / 2 h / 5 °C 2: <i>L</i>-proline; N-chloro-succinimide / chloroform / 1 h / 0 - 20 °C 3: diethylene glycol / 2 h / 120 °C / Inert atmosphere

23
[ 1221188-97-1 ]
[ 1029712-80-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: potassium carbonate; palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride / 1,4-dioxane; lithium hydroxide monohydrate / 2 h / 80 °C / Inert atmosphere 1.2: 1 h / 10 - 20 °C / Inert atmosphere 2.1: diethylene glycol / 2 h / 120 °C / Inert atmosphere
	Multi-step reaction with 2 steps 1.1: potassium carbonate; palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride / 1,4-dioxane; lithium hydroxide monohydrate / 2 h / 80 °C / Inert atmosphere 1.2: 1 h / 10 - 20 °C / Inert atmosphere 2.1: diethylene glycol / 2 h / 120 °C / Inert atmosphere
	Multi-step reaction with 2 steps 1.1: potassium carbonate; palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride / 1,4-dioxane; lithium hydroxide monohydrate / 2 h / 80 °C / Inert atmosphere 1.2: 1 h / 10 - 20 °C / Inert atmosphere 2.1: <i>L</i>-proline; N-chloro-succinimide / chloroform / 2 h / 20 °C 2.2: 2 h / 120 °C

24
[ 1029712-80-8 ]
[ CAS Unavailable ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide In water at 70℃;

Reference： [1]Bhangare, Dhiraj; Rajput, Niraj; Jadav, Tarang; Sahu, Amit Kumar; Sengupta, Pinaki [Rapid Communications in Mass Spectrometry, 2023, vol. 37, # 1]

25
[ 1029712-80-8 ]
[ 1029714-88-2 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride In water at 70℃;

Reference： [1]Bhangare, Dhiraj; Rajput, Niraj; Jadav, Tarang; Sahu, Amit Kumar; Sengupta, Pinaki [Rapid Communications in Mass Spectrometry, 2023, vol. 37, # 1]

Same Skeleton Products

Related Products

Historical Records

Similar Product of
[ 1029712-80-8 ]

A1251172[ 1197376-85-4 ]

2-Fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide dihydrochloride

Reason: Free-salt

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) ]}	Inquiry {[ 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. 1029712-80-8 ] {[proInfo.proName]}

Quality Control of [ 1029712-80-8 ]

Related Doc. of [ 1029712-80-8 ]

Product Details of [ 1029712-80-8 ]

Calculated chemistry of [ 1029712-80-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1029712-80-8 ]

Application In Synthesis of [ 1029712-80-8 ]

[ 1029712-80-8 ] Synthesis Path-Upstream 1~2

[ 1029712-80-8 ] Synthesis Path-Downstream 1~25

Similar Product of [ 1029712-80-8 ]

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Similar Product of
[ 1029712-80-8 ]