1165923-89-6|tert-Butyl 6-hydroxy-5-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate| Ambeed

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Quality Control of [ 1165923-89-6 ] Purity: 98% SDS Specification

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Product Details of [ 1165923-89-6 ]

CAS No. :	1165923-89-6
Formula :	C₁₅H₂₁NO₃
M.W :	263.33
SMILES Code :	O=C(N1CC2=C(C(C)=C(O)C=C2)CC1)OC(C)(C)C
MDL No. :	MFCD20922040
InChI Key :	RAHWFMIZBGSPOO-UHFFFAOYSA-N
Pubchem ID :	54756910

Safety of [ 1165923-89-6 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of [ 1165923-89-6 ]

* 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 [ 1165923-89-6 ]

[ 1165923-89-6 ] Synthesis Path-Downstream 1~36

1
[ 358-23-6 ]
[ 1165923-89-6 ]
[ 1165923-91-0 ]

Yield	Reaction Conditions	Operation in experiment
100%	With pyridine; In dichloromethane; at -30 - 20℃;Inert atmosphere;Product distribution / selectivity;	To a solution of 1 ,1-dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1 H)- isoquinolinecarboxylate (Preparation 168) (3.16g, 12 mmol) in DCM (50ml) at room temperature under nitrogen was added pyridine (1.94ml, 24 mmol) and the resulting solution was cooled to -300C before trifluoromethanesulfonic anhydride (2.23ml, 13.20 mmol) was added dropwise. The resulting mixture was stirred for 40min at this temperature, warmed to room temperature and concentrated. The residue was diluted with ethyl acetate and washed sequentially with a hydrochloric acid (1 N), saturated sodium hydrogen carbonate and brine. The solution was dried (MgSO4) and concentrated in vacuo to give 1 ,1-dimethylethyl 5-methyl-6- [(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1 H)-isoquinolinecarboxylate (4.85g, 102%) as a red oil which was used in the next step (Preparation 22) without further purification. LCMS (Method HpH): Retention time 1.46min, [M-H]" = 3941 H NMR (CDCI3): deltaH 7.10(1 H, d), 7.02(1 H, d), 4.58(2H, s), 3.68(2H, t), 2.76(2H, t), 2.25(3H, s), 1.49(9H, s).
	With pyridine; In dichloromethane; at -30 - -20℃; for 0.5h;	Preparation 15: 1,1 -Dimethylethyl 5-methyl-6-[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1 H)- isoquinolinecarboxylate. To a solution of 1 ,1-dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1 H)- isoquinolinecarboxylate (preparation 14; 263 mg; I .OOmmol) in dichloromethane (5ml) at -3O0C under nitrogen was added pyridine (0.162 ml; 2.00mmol) followed by slow addition of trifluoromethanesulphonic anhydride (0.186ml; 1.10 mmol). After 0.5h between -3O0C and -2O0C, the solvent was removed, and the residue taken up in ethyl acetate. The solution was washed with 1 N hydrochloric acid followed by saturated sodium bicarbonate solution, dried (MgSO4) and concentration in vacuo to give the title compound as a pale yellow oil (368mg). MS m/z 394 [M-H].
	With pyridine; In dichloromethane; at -30℃; for 0.666667h;Inert atmosphere;	To a solution of 1 ,1-dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1H)- isoquinolinecarboxylate (Preparation 18) (3.16 g, 12 mmol) in DCM (50 ml) at room temperature under nitrogen was added pyridine (1.94 ml, 24.00 mmol) and the resulting yellow solution was cooled to -30 0C before trifluoromethanesulfonic anhydride (2.23 ml, 13.20 mmol) was added dropwise. The resulting mixture was stirred 40 minutes at this temperature then warmed to room temperature and concentrated in vacuo. The residue was dissolved in AcOEt and the organic phase was washed sequentially with a 1N HCI aqueous solution, a saturated NaHCO3 aqueous solution and brine, then dried over MgSO4 and concentrated in vacuo to give 1 ,1 -dimethylethyl 5-methyl-6-[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1 H)- isoquinolinecarboxylate (4.85 g, 102%) as a red oil which was used in the next step without further purification. LCMS: retention time 1.46 min ; [M-HV = 394.22

	With triethylamine; In dichloromethane; at 0 - 20℃; for 5h;	To a solution of compound 11-42 (100 g, 380 mmol) and Et3N (76.8 g, 760 mmol) in DCM (1.5 L) cooled to 0 C is added triflic anhydride (Tf20) (107 g, 380 mmol) via addition funnel. Upon complete addition of Tf20, the solution is warmed to room temperature for 5 h. The reaction mixture is then treated with H20 and DCM, and the organic phase is separated, washed with brine, dried over Na2S04, filtered, and concentrated in vacuo. The residue is purified by column chromatography on silica gel (using 20: 1 petroleum ethenEtOAc) to provide compound 11-43(105 g).
105 g	With triethylamine; In dichloromethane; at 0 - 20℃; for 5h;	RRN 34Example 5 Preparation of intermediate 6-bromomethyl-5-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (5-34) To a solution of compound 5-30 (100.0 g, 380 mmol) and Et3N (76.8 g, 760 mmol) in dichloromethane (1.5 L) cooled to 0 C. is added triflic anhydride (Tf2O) (107.0 g, 380 mmol) via addition funnel. Upon complete addition of Tf2O, the solution is warmed to room temperature for 5 h. The reaction mixture is then treated with H2O and dichloromethane, and the organic phase is separated, washed with brine, dried over Na2SO4, filtered, and concentrated in vacuo. The residue is purified by silica gel chromatography (using 20:1 petroleum ether:EtOAc) to provide compound 5-31 (105.0 g).
	With pyridine; In dichloromethane; at -35℃; for 1.2h;	To a solution of tert-butyi-6-hydroxy-5-methyi-3,4-dihydro- isoquinohne2(1H)-carboxviate (230 rng, 0.873 mmol), pyridine (0.21 mL, 2.6 mrnoi) in DCM (5 mE) was added Tf20 (0.18 mE, I rnmoi) at -35 C for 0.2 h. The mixture was stirred at -35 O( for I h,then poured into ice HC1 (0.5N, 10 mL) and extracted with EA (20 mL*2). The combined organic layers were washed with NaHCO3 (10 mE) and brine (20 mE). After filtration, the filtrate was concentrated to give the title compound, which was used in the next step without further purification.

References: [1]Patent: WO2010/146105,2010,A1 .Location in patent: Page/Page column 52-53.
[2]Patent: WO2009/80724,2009,A1 .Location in patent: Page/Page column 28-29.
[3]Patent: WO2010/145202,2010,A1 .Location in patent: Page/Page column 32.
[4]ACS Medicinal Chemistry Letters,2011,vol. 2,p. 444 - 449.
[5]Journal of Medicinal Chemistry,2011,vol. 54,p. 6724 - 6733.
[6]Patent: WO2012/122340,2012,A1 .Location in patent: Page/Page column 62-63.
[7]Organic Process Research and Development,2013,vol. 17,p. 1239 - 1246.
[8]Patent: US2014/73629,2014,A1 .Location in patent: Paragraph 0112.
[9]Journal of Medicinal Chemistry,2015,vol. 58,p. 8236 - 8256.
[10]Patent: WO2017/205193,2017,A1 .Location in patent: Page/Page column 98.

2
[ 24424-99-5 ]
[ 1165923-86-3 ]
[ 1165923-89-6 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In dichloromethane; at 0℃;	Preparation 14: 1,1-Dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1H)- isoquinolinecarboxylate. To a suspension of 5-methyl-1 ,2,3,4-tetrahydro-6-isoquinolinol (Preparation 13;_163 mg; I .Ommol) in dichloromethane (5ml) at O0C was added triethylamine (0.21 ml; 1.50 mmol) followed by bis(1,1-dimethylethyl) dicarbonate (240 mg; 1.10mmol ). The solvent was evaporated and the residue partitioned between ethyl acetate and brine. The aqueous layer was further extracted with ethyl acetate and the combined organic layers were dried (MgSO4) and evaporated to give a yellow oil. Purification by flash chromatography eluting with a gradient of 5-25% ethyl acetate in cyclohexane gave the title compound as a white foam (232mg). MS m/z 262 [M-H].
295 mg	With sodium hydroxide; In 1,4-dioxane; water; at 20℃; for 0.0833333h;	To a solution of 5-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol (355mg) in 1 N aq. NaOH (3.6ml) was added di-tert-butyldicarbonate (850mg) in dioxane (20ml). The reaction mixture was stirred at rt for 5min. The mixture was diluted with DCM (20ml)and 1 N aq. HCI (5ml). The aq. layer was extracted with DCM and the combined org. layers were washed with sat. aq. NaCI., dried over MgS04, filtrated off and evaporated in vacuo. The crude was purified by CC (Buchi Sepacore, 10g cartridge, solvent A: DCM, solvent B: MeOH, gradient in %B: 0 to 5, flow rate: 6ml/min) to afford 295mg of a yellow oil. LC-MS (A): tR = 0.84min; [M+H]+: 264.12.

References: [1]Patent: WO2009/80724,2009,A1 .Location in patent: Page/Page column 27-28.
[2]Patent: WO2016/177690,2016,A1 .Location in patent: Page/Page column 89.

3
C₁₈H₂₉NO₃Si [ No CAS ]
[ 1165923-89-6 ]

Yield	Reaction Conditions	Operation in experiment
		Lithium bis(trimethylsilyl)amide (1M in THF, 246 ml, 246 mmol) was added dropwise to a solution of 1,1-dimethylethyl 5-methyl-6-oxo-3,4,6,7,8,8a-hexahydro-2(1H)- isoquinolinecarboxylate (Preparation 17) (54.4 g, 205 mmol) in THF (200 ml) at -630C, allowing a slight exotherm during the addition to -600C. The mixture was stirred at this temperature for 30 minutes, then chloro(trimethyl)silane (31.4 ml, 246 mmol) was added dropwise. The resulting mixture was stirred for 2 hours at -700C, then warmed to room temperature over 20 minutes and diluted with Et2O (800 ml). The organic phase was added to a saturated Na2Ctheta3 solution and the two layers were separated. The aqueous phase was extracted with Et2O and the combined organic phases were dried over Na2SO4 and concentrated in vacuo. The residue was dissolved in CH3CN (200 ml) and Palladium(ll)acetate (46.0 g, 205 mmol) was added. The resulting mixture was cooled using a bowl of water to limit the exotherm to less than 35C and stirred for 16 hours. The insoluble material was filtered off through celite and rinsed with AcOEt (3 x 300 ml). The combined organic phases were then filtered through a 1 inch pad of silica gel and concentrated in vacuo. The residue was dissolved in AcOEt (500 ml) and treated with tetrabutylammonium fluoride (1M in THF, 200 ml, 200 mmol). The resulting mixture was allowed to stand for 30 minutes. The organic phase was then washed with a 0.5M HCI aqueous solution (300 ml) and a 10% w/w sodium thiosulphate aqueous solution, dried over MgSO4 and concentrated in vacuo. Purification of the residue by flash chromatography on silica gel (c-Hexane/AcOEt: 0 to 60% gradient) gave 1,1-dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1H)- isoquinolinecarboxylate (29.9g, 55.4 % yield) as a white solid. LCMS: retention time 1.08 min ; [M-H]- = 262.37
	With tetrabutyl ammonium fluoride; In ethyl acetate; for 0.5h;	Lithium bis(trimethylsilyl)amide (1 M in THF, 246ml, 250 mmol) was added dropwise to a solution of 1 ,1-dimethylethyl 5-methyl-6-oxo-3,4,6,7,8,8a-hexahydro-2(1 H)- isoquinolinecarboxylate (Preparation 167) (54.4g, 210 mmol) in THF (200ml) at - 63C, maintaining a reaction temperature below -600C during the addition and the mixture was stirred for 30min. Chloro(trimethyl)silane (31.4ml, 250 mmol) was added dropwise and the resulting mixture was stirred for 2h at -700C. The reaction was warmed to room temperature over 20min and diluted with diethyl ether (800ml). The reaction was added to a saturated sodium carbonate solution and the phases separated. The aqueous phase was extracted with diethyl ether (300ml) and the combined organic phases were dried (Na2SO4) and concentrated in vacuo. The residue was dissolved in acetonitrile (200ml) and palladium (II) acetate (46.Og, 210 mmol) was added. The resulting mixture was cooled (water bath) to maintain a reaction temperature below 35C and stirred overnight. The reaction was filtered through Celite and the residue rinsed with ethyl acetate (3x 300ml). The filtrate was further filtered through a 1 " pad of silica gel and concentrated. The residue was dissolved in ethyl acetate (500ml), treated with tetrabutylammonium fluoride (1 M in THF, 200ml). The resulting mixture was allowed to stand for 30min, washed with hydrochloric acid (0.5N, 300ml) and a 10% sodium thiosulphate solution, dried (MgSO4) and concentrated. Purification of the residue by flash chromatography on silica gel eluting with an ethyl acetate / cyclohexane gradient (0-60%) gave 1 ,1- dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1 H)-isoquinolinecarboxylate (29.9g, 55.4%) as a white solid. LCMS (Method formate): Retention time 1.07min, [M-H]" = 2621 H NMR (CDCI3): deltaH 6.82(1 H, d), 6.66(1 H, d), 4.96(1 H, s), 4.49(2H, s), 3.64(2H, t), 2.73(2H, t), 2.14(3H, s), 1.48(9H, s).

References: [1]Patent: WO2010/145202,2010,A1 .Location in patent: Page/Page column 31-32.
[2]Patent: WO2010/146105,2010,A1 .Location in patent: Page/Page column 171-172.
[3]ACS Medicinal Chemistry Letters,2011,vol. 2,p. 444 - 449.

4
C₂₁H₃₅NO₃Si [ No CAS ]
[ 1165923-89-6 ]

Yield	Reaction Conditions	Operation in experiment
	With tetrabutyl ammonium fluoride; In ethyl acetate; for 1.5h;	The solution of 1 ,1-dimethylethyl 5-methyl-6-oxo-3,4,6,7,8,8a-hexahydro-2(1 H)- isoquinolinecarboxylate in toluene prepared in the previous experiment (Preparation 172) (-55I), was diluted with toluene (1151) and the solution distilled to a residual volume of -651. The residue was diluted with anhydrous 2-methyltetrahydrofuran (1 151), mixed and divided into 2 equal portions.To one portion of this solution under nitrogen were added 2-methyltetrahydrofuran (541) and triethylsilylchloride (7.57kg) and the mixture cooled to <15C. Lithium- hexamethyldiisilazane (24% in THF, 45.6kg) was added over 1.5h maintaining a reaction temperature <20C and the reaction maintained at 20+/-3C for 30min after completion of addition. Water (54kg) was added to the reaction and the mixture stirred at 20+/-3C for 10min. The aqueous layer was separated and the organic washed with water (54kg) at 20+/-3C for 10min. The organic layer was concentrated by distillation under vacuum to ~22I. To the residue was added anhydrous 2- methyltetrahydrofuran (1201) and the mixture concentrated by distillation under vacuum to -301 before cooling to 20+/-3C. To the residue was added anhydrous 2- methyltetrahydrofuran (1781), palladium (II) acetate (11.5kg). The catalyst washed in with anhydrous 2-methyltetrahydrofuran (1.7kg) and the mixture treated with aqueous potassium formate solution (29%, 20.2kg), maintaining a reaction temperature of 20+/-5C. The reaction was stirred at 20+/-5C for 2h and then held over the weekend. To the reaction was added tetrabutylammonium fluoride (1 M in THF, 20.4kg) and the reaction stirred at 20+/-3C for ~1.5h and then filtered. The solid was washed with 2-methyltetrahydrofuran (2x 24I). The aqueous phase was separated from the combined filtrate and washings and the organic washed with water (60kg) then aqueous sodium chloride solution (1 %, 60kg). The organic phase was concentrated to ~36I by distillation under vacuum, the cooled residue diluted with 2-methyltetrahydrofuran (1801) and redistilled to a residual volume of 361. A slurry of 1 ,1-dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1 H)- isoquinolinecarboxylate (12g) in heptane (0.5I) was added to the residual solution and the mixture stirred at 20+/-3C for 1.5h. A further portion of slurried 1 ,1- dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate (12g) in heptane (0.5I) was added, the mixture stirred for 5min and heptane (1 16kg) added to the mixture over 2h at 20+/-3C. The mixture was concentrated to 36I under vacuum, cooled and the residue diluted with heptane (1441) over 30min. The mixture was filtered, the solid washed with heptane (2x361) and dried under vacuum at 45+/-5C to give 1 ,1-dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1 H)-isoquinolinecarboxylate (5.7kg).1 H NMR (CDCI3): deltaH 6.80(1 H, d), 6.66(1 H, d), 5.35(1 H, bs), 4.49(2H, s), 3.64(2H, t), 2.72(2H, t), 2.14(3H, s), 1.49(9H, s).

References: [1]Patent: WO2010/146105,2010,A1 .Location in patent: Page/Page column 172-174.
[2]Organic Process Research and Development,2013,vol. 17,p. 1239 - 1246.

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[ 1165923-89-6 ]

References: [1]Patent: WO2010/146105,2010,A1 .
[2]Patent: WO2010/146105,2010,A1 .
[3]ACS Medicinal Chemistry Letters,2011,vol. 2,p. 444 - 449.
[4]Organic Process Research and Development,2013,vol. 17,p. 1239 - 1246.

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[ 79099-07-3 ]
[ 1165923-89-6 ]

References: [1]Patent: WO2010/146105,2010,A1 .
[2]Patent: WO2010/146105,2010,A1 .
[3]ACS Medicinal Chemistry Letters,2011,vol. 2,p. 444 - 449.
[4]Journal of Medicinal Chemistry,2011,vol. 54,p. 6724 - 6733.
[5]Organic Process Research and Development,2013,vol. 17,p. 1239 - 1246.
[6]Journal of Medicinal Chemistry,2015,vol. 58,p. 8236 - 8256.
[7]Patent: WO2017/205193,2017,A1 .

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[ 1165923-92-1 ]

References: [1]Patent: WO2010/146105,2010,A1 .
[2]ACS Medicinal Chemistry Letters,2011,vol. 2,p. 444 - 449.
[3]Journal of Medicinal Chemistry,2011,vol. 54,p. 6724 - 6733.
[4]Organic Process Research and Development,2013,vol. 17,p. 1239 - 1246.
[5]Journal of Medicinal Chemistry,2015,vol. 58,p. 8236 - 8256.

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References: [1]Patent: WO2010/146105,2010,A1 .
[2]Journal of Medicinal Chemistry,2011,vol. 54,p. 6724 - 6733.

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References: [1]Patent: WO2010/146105,2010,A1 .

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References: [1]Patent: WO2010/146105,2010,A1 .
[2]ACS Medicinal Chemistry Letters,2011,vol. 2,p. 444 - 449.
[3]Organic Process Research and Development,2013,vol. 17,p. 1239 - 1246.

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References: [1]Patent: WO2010/146105,2010,A1 .
[2]Journal of Medicinal Chemistry,2011,vol. 54,p. 6724 - 6733.

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[ 1165923-54-5 ]

References: [1]Patent: WO2010/146105,2010,A1 .
[2]ACS Medicinal Chemistry Letters,2011,vol. 2,p. 444 - 449.
[3]Organic Process Research and Development,2013,vol. 17,p. 1239 - 1246.

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References: [1]Patent: WO2010/146105,2010,A1 .
[2]Journal of Medicinal Chemistry,2015,vol. 58,p. 8236 - 8256.

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References: [1]Patent: WO2010/146105,2010,A1 .
[2]Journal of Medicinal Chemistry,2015,vol. 58,p. 8236 - 8256.

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References: [1]Patent: WO2010/146105,2010,A1 .
[2]ACS Medicinal Chemistry Letters,2011,vol. 2,p. 444 - 449.

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References: [1]Patent: WO2010/146105,2010,A1 .
[2]Journal of Medicinal Chemistry,2015,vol. 58,p. 8236 - 8256.

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References: [1]Patent: WO2010/146105,2010,A1 .
[2]Journal of Medicinal Chemistry,2011,vol. 54,p. 6724 - 6733.

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References: [1]Patent: WO2010/146105,2010,A1 .
[2]ACS Medicinal Chemistry Letters,2011,vol. 2,p. 444 - 449.

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• Acyl Group Substitution • Appel Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chugaev Reaction • Complex Metal Hydride Reductions • Corey-Kim Oxidation • Dess-Martin Oxidation • Hydride Reductions • Jones Oxidation • Lawesson's Reagent • Martin's Sulfurane Dehydrating Reagent • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Preparation of Alcohols • Preparation of Amines • Reactions of Alcohols • Reactions of Amines • Reactions with Organometallic Reagents • Ritter Reaction • Sharpless Olefin Synthesis • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Swern Oxidation

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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

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

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CAS No.: 1165923-89-6

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CAS No.: 1165923-89-6

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[ 1165923-89-6 ] Synthesis Path-Downstream 1~36

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