[ CAS No. 215453-84-2 ]

Name: 215453-84-2|4-(4-Bromophenoxy)tetrahydro-2H-pyran|98%
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Product Details of [ 215453-84-2 ]

CAS No. :	215453-84-2	MDL No. :	MFCD11855868
Formula :	C₁₁H₁₃BrO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	257.12 g/mol	Pubchem ID :	-
Synonyms :

Calculated chemistry of of [ 215453-84-2 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.45
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	58.83
TPSA :	18.46 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.75 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.78
Log Po/w (XLOGP3) :	2.99
Log Po/w (WLOGP) :	3.01
Log Po/w (MLOGP) :	2.42
Log Po/w (SILICOS-IT) :	3.22
Consensus Log Po/w :	2.88

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.5
Solubility :	0.0807 mg/ml ; 0.000314 mol/l
Class :	Soluble
Log S (Ali) :	-3.04
Solubility :	0.234 mg/ml ; 0.000909 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.89
Solubility :	0.033 mg/ml ; 0.000129 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.81

Safety of [ 215453-84-2 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313	UN#:
Hazard Statements:	H315-H319	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 215453-84-2 ]

* 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 [ 215453-84-2 ]

[ 215453-84-2 ] Synthesis Path-Downstream 1~11

1
[ 2081-44-9 ]
[ 106-41-2 ]
[ 215453-84-2 ]

Yield	Reaction Conditions	Operation in experiment
86%	With di-isopropyl azodicarboxylate; triethylamine; triphenylphosphine In tetrahydrofuran at 0 - 20℃;
	With triphenylphosphine; diethylazodicarboxylate In toluene at 0 - 20℃; for 0.75h;	18.1 Step 1: Preparation of 4-(4-bromophenoxy)tetrahydro-2H-pyran (Compound of Formula 18-2) 4-bromophenol (Formula 18-1, 500 mg, 2.89 mmol), 4-hydroxytetrahydropyran (0.4 ml, 4.34 mmol, 1.5 eq) and triphenylphosphine (PPh3) (1.1 g, 4.34 mmol, 1.5 eq) was dissolved in toluene (8 ml), then diethyl azodicarboxylate (DEAD) (1.4 ml, 3.18 mmol, 1.1 eq) was added dropwise at 0 ° C. The reaction mixture was stirred at room temperature for 45 minutes. After completion of the reaction, the solvent was removed under reduced pressure, dissolved in diethyl ether, and the resulting solid was filtered off. Ethyl acetate was added to the filtrate, and the mixture was washed with H2O, dried over anhydrous MgSO4, and the solvent was removed under reduced pressure. Thereafter, the reaction mixture was separated and purified by MPLC to obtain the target compound (Formula 18-2).
	With triphenylphosphine; diethylazodicarboxylate In toluene at 0 - 20℃; for 0.75h;	18.1 Step 1: Preparation of 4- (4-bromophenoxy) tetrahydro-2H-pyran (compound of formula 18-2) 4-bromophenol (Formula 18-1, 500 mg, 2.89 mmol),After 4-hydroxytetrahydropyran (0.4 ml, 4.34 mmol, 1.5 eq) and triphenylphosphine (PPh3) (1.1 g, 4.34 mmol, 1.5 eq) were dissolved in toluene (8 ml), diethyl azodica Foxylate (DEAD) (1.4 ml, 3.18 mmol, 1.1 eq) was added dropwise at 0 ° C. The reaction mixture was stirred at room temperature for 45 minutes. After completion of the reaction, the solvent was removed under reduced pressure, dissolved in diethyl ether, and the resulting solid was filtered off. Ethyl acetate was added to the filtrate, washed with H 2 O, dried over anhydrous MgSO 4 and the solvent was removed under reduced pressure. Then, the reaction mixture was separated and purified by MPLC to obtain the target compound (Formula 18-2).

Reference： [1]Manivel, Pitchai; Rai, Neithnadka Premsai; Jayashankara, Vaderapura Puttaramegowda; Arunachalam, Pirama Nayagam [Tetrahedron Letters, 2007, vol. 48, # 15, p. 2701 - 2705]
[2]Current Patent Assignee: DAEGU GYEONGBUK MEDICAL INNOVATION FOUNDATION; NATIONAL CANCER CENTER JAPAN - KR2019/109007, 2019, A Location in patent: Paragraph 0316-0318
[3]Current Patent Assignee: DAEGU GYEONGBUK MEDICAL INNOVATION FOUNDATION - KR2020/30970, 2020, A Location in patent: Paragraph 0424-0427

2
[ 2081-44-9 ]
[ 4143-61-7 ]
[ 106-41-2 ]
[ 215453-84-2 ]

Yield	Reaction Conditions	Operation in experiment
	With triphenylphosphine In tetrahydrofuran	58.a 58a. 58a. 4-(4-Bromo-phenoxy)-tetrahydropyran A mixture of 4.0 mL of diethyl-azodicarboxylate in 20 mL of dry tetrahydrofuran was added at 5° C. to a stirred solution of 3.5 g of 4-bromo-phenol, 2.4 mL of 4-hydroxy-tetrahydropyran and 6.6 g triphenylphosphine in 75 mL of tetrahydrofuran within 30 minutes. Stirring was continued at room temperature for 72 hours. The solvent was evaporated in vacuo and the residue chromatographed on silica gel (ethyl acetate) yielding 5.6 g of 4-(4-bromo-phenoxy)-tetrahydropyran as a white solid. M.p. 53-55° C., EI-MS: 256 (M+).

Reference： [1]Current Patent Assignee: MERCK & CO INC - US6194409, 2001, B1

3
[ 2081-44-9 ]
[ 106-41-2 ]
[ 60-29-7 ]
[ 1972-28-7 ]
[ 215453-84-2 ]

Yield	Reaction Conditions	Operation in experiment
	With triphenylphosphine In tetrahydrofuran; ethyl acetate	R.80 Reference Example 80 Reference Example 80 To a solution of 4-bromophenol (15.0 g), tetrahydropyran-4-ol (9.Og) and triphenylphosphine (23.08 g) in THF (100 ml) was added dropwise at 0° C. diethyl azodicarboxylate (40% toluene solution) (38.3 g), and the mixture was stirred at room temperature for 3 days and concentrated under reduced pressure. To the residue was added diethylether, and precipitated crystals were removed by filtration. The filtrate was concentrated, and the residue was dissolved in ethyl acetate. The solution was washed with 1N sodium hydroxide solution (*3) and saturated brine, dried with magnesium sulfate and concentrated under reduced pressure. The residue was purified with silica gel column chromatography (ethyl acetate/hexane=1:4) to give colorless crystals of 4-(4-bromophenyloxy)tetrahydropyran (15.94 g).

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - US6235771, 2001, B1

4
[ 215453-84-2 ]
[ 121-43-7 ]
4-(tetrahydropyran-4-yloxy)phenyl borate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; n-butyllithium In tetrahydrofuran; hexane	R.80 Reference Example 80 To a solution of 4-(4-bromophenyloxy)tetrahydropyran (15.73 g) in THF (100 ml) was added dropwise at -78° C. a solution of 1.6M n-butyllithium in hexane (42 ml), and the mixture was stirred for 1 hour. To the mixture was added dropwise a solution of trimethyl borate (20 ml) in THF (20 ml) for 1 hour, and the mixture was stirred at -78° C. for 1 hour. The reaction mixture was allowed to warm to room temperature, and the mixture was stirred at room temperature for 2 hours. To the mixture was added dropwise 1N hydrochloric acid (100 ml), and the mixture was stirred for 1 hour and extracted with ethyl acetate. The organic layer was washed with water and saturated brine, and dried with magnesium sulfate. The solvent was evaporated under reduced pressure to give colorless crystals, which were collected by filtration and washed with ethyl acetate/hexane to give colorless crystals of 4-(tetrahydropyran-4-yloxy)phenyl borate (4.30 g). The mother liquor was purified with silica gel column chromatography (ethyl acetate/hexane=1:1) to give colorless crystals of 4-(tetrahydropyran-4-yloxy)phenyl borate (2.97 g). 1H-NMR (200 MHz, CDCl3) δ 1.74-1.93 (2H, m), 1.98-2.15 (2H, m), 3.55-3.68 (2H, m), 3.95-4.08 (2H, m), 4.56-4.70 (1H, m), 7.02 (2H, d, J=8.6 Hz), 8.15 (2H, d, J=8.6 Hz).

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - US6235771, 2001, B1

5
[ 215453-84-2 ]
[ 215453-85-3 ]

Yield	Reaction Conditions	Operation in experiment
	With n-butyllithium; sulfuryl dichloride In tetrahydrofuran; hexane	58.b 58b. 58b. 4-(Tetrahydropyran-4-yloxy)-benzenesulfonyl chloride To a solution of 2.8 g of 4-(4-Bromo-phenoxy)-tetrahydropyran in 75 mL of dry tetrahydrofuran was added 7.5 mL of n-butyllithium (1.6 N in hexane) at -78° C. After stirring at -78° C. for 2 hours the reaction mixture was allowed to warm to -40° C. and a solution of 4.1 mL of sulfuryl chloride in 75 mL of dry hexane was added within 15 minutes. Stirring was continued for 1 hour at -30° C. and subsequently for another hour at 5° C. The mixture was poured on ice, extracted with diethyl ether and the ether extract washed with cold water and brine, dried (sodium sulfate), and concentrated. The residue was purified by silica chromatography (isohexane/ethyl acetate 4/1) yielding 0.62 g of 4-(tetrahydropyran-4-yloxy)-benzenesulfonyl chloride as a colorless oil. EI-MS: 276 (M+).

Reference： [1]Current Patent Assignee: MERCK & CO INC - US6194409, 2001, B1

6
[ 215453-84-2 ]
2,3,4,6-tetra-O-benzyl-1-C-(3-formylphenyl)-5-thio-D-glucopyranose [ No CAS ]
2,3,4,6-tetra-O-benzyl-1-C-[3-[(4-(4-tetrahydropyranyloxy)phenyl)(hydroxy)methyl]phenyl]-5-thio-D-glucopyranose [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
76%	Stage #1: 4-(4-bromo-phenoxy)-tetrahydropyran With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1.5h; Stage #2: 2,3,4,6-tetra-O-benzyl-1-C-(3-formylphenyl)-5-thio-D-glucopyranose In tetrahydrofuran for 3h; Stage #3: With water; ammonium chloride In tetrahydrofuran	13 Example 13 [Show Image] Synthesis of (1S)-1,5-anhydro-2,3,4,6-tetra-O-benzyl-1-[3-[4-(4-tetrahydropyranyloxy)benzyl]phenyl]-1-thio-D-glucitol; 2.6 M n-butylithium hexane solution (0.8 mL) was added to a mixture of 1-bromo-4-(4-tetrahydropyranyloxy)benzene (0.545 g, 2.12 mmol) and tetrahydrofuran (6 mL) at -78°C. After stirred for 1.5 hours, a tetrahydrofuran (8 mL) solution of 2,3,4,6-tetra-O-benzyl-1-C-(3-formylphenyl)-5-thio-D-glucopyranose(0.70 g, 1.06 mmol) was added and further stirred for three hours, and the reaction mixture was warmed to room temperature. After the reaction mixture was added with a saturated ammonium chloride aqueous solution and extracted with ethyl acetate, the organic phase was washed with brine and dried with anhydrous magnesium sulfate. After the desiccant was filtered off, the residue obtained by evaporating the solvent under reduced pressure was purified by silica gel column chromatography (hexane:ethyl acetate =2:1) to obtain 2,3,4,6-tetra-O-benzyl-1-C-[3-[(4-(4-tetrahydropyranyloxy)phenyl)(hydroxy)methyl]phenyl]-5-thio-D-glucopyranose (0.67 g, 76%). Then, an acetonitrile (8 mL) solution of 2,3,4,6-tetra-O-benzyl-1-C-[3-[(4-(4-tetrahydropyranyloxy)phenyl)(hydroxy)methyl]phenyl]-5-thio-D-glucopyranose (0.67 g, 0.802 mmol) was added sequentially with Et3SiH (0.78 mL, 4 . 90 mmol) and BF3-Et2O (0.41 mL, 3.27 mmol) at -15°C. After stirred for one hour, the reaction mixture was warmed up to room temperature and stirred for three hours. After the reaction mixture was added with a saturated sodium carbonate aqueous solution and extracted with ethyl acetate, the organic layer was washed with brine and dried with anhydrous magnesium sulfate. After the desiccant was filtered off, the residue obtained by evaporating the solvent under reduced pressure was purified by silica gel column chromatography (hexane:ethyl acetate =4:1) to obtain a colorless powdered title compound (0.37 g, 57%). 1H NMR (300 MHz, CHLOROFORM-d) δ ppm 1.66 - 1.81 (m, 2 H) 1.88-2.02 (m, 2 H) 3.05 - 3.15 (m, 1 H) 3.47 - 3.59 (m, 3 H) 3.64 - 4.00 (m, 10 H) 4.33 - 4.42 (m, 1 H) 4.46 (d, J=9.95 Hz, 1 H) 4.52 (s, 2 H) 4.60 (d, J=10.41 Hz, 1 H) 4.84 - 4.93 (m, 3 H) 6.60 - 6.67 (m, 2 H) 6.72 - 6.79 (m, 2 H) 6.99 - 7.19 (m, 8 H) 7.20 - 7.35 (m, 16 H). ESI m/Z = 824(M+NH4).

Reference： [1]Current Patent Assignee: TAISHO PHARMACEUTICAL HOLDINGS CO., LTD. - EP1845095, 2007, A1 Location in patent: Page/Page column 51-52

7
[ 215453-84-2 ]
[ 73183-34-3 ]
[ 1416157-80-6 ]

Yield	Reaction Conditions	Operation in experiment
77%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In N,N-dimethyl-formamide at 125℃; for 5h; Inert atmosphere;	A General Method E (Borylation of aryl halides): using B^pm? / Pd General procedure: A mixture of aryliodide or arylbromide (1 equiv.), bis(pinacolato)diboron (1.2 to 1.5 equiv.), OAc (3 equiv.) and DMF or DMSO was purged with Ar for 10 min. [1,1'- PdCl2dppf*CH2Cl2 (3-5 mol%) was added, the vial sealed and heated at 85-100 °C for 2-3 h. The product was partitioned between EtOAc and satd aq NaHC03 solution, washed with brine, dried over Na2S04 or MgS0 , filtered, and concentrated to dryness. The crude product was purified by flash chromatography to give the title compound.
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate In 1,4-dioxane at 100℃; for 12h;	18.2 Step 2: Preparation of 4,4,5,5-tetramethyl-2-(4-(tetrahydro-2H-pyran-4-yloxy)phenyl)-1,3,2-dioxaborolane (compound of formula 18-3) Step 2: 4,4,5,5-tetramethyl-2- (4- (tetrahydro-2H-pyran-4-yloxy) phenyl) -1,3,2-dioxaborolane (Formula 18-3 Preparation of the compound4- (4-Bromophenoxy) tetrahydro-2H-pyran synthesized in Step 1 (Formula 18-2, 638 mg, 2.48 mmol), potassium acetate (731 mg, 7.44 mmol, 3 eq), Pd (dppf ) Cl2-CH2Cl2 (203 mg, 0.25 mmol, 0.1 eq) and B2Pin2 (756 mg, 2.98 mmol, 1.2 eq) were dissolved in 1,4-dioxane (15 ml). The temperature was raised to 100 ° C and the reaction mixture was stirred for 12 hours. After completion of the reaction, the reaction mixture was filtered through celite and extracted with ethyl acetate. The organic layer was washed with H 2 O, dried over anhydrous MgSO 4, and the solvent was removed under reduced pressure. Then, the reaction mixture was separated and purified by MPLC (hexane / ethyl acetate) to give the target compound (Formula 18-3).
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate In 1,4-dioxane at 100℃; for 12h;	18.2 Step 2: 4,4,5,5-tetramethyl-2- (4- (tetrahydro-2H-pyran-4-yloxy) phenyl) -1,3,2-dioxaborolane (Formula 18-3 Preparation of compounds) 4- (4-Bromophenoxy) tetrahydro-2H-pyran synthesized in step 1 (Formula 18-2, 638 mg, 2.48 mmol), potassium acetate (731 mg, 7.44 mmol, 3 eq), Pd (dppf ) Cl2-CH2Cl2 (203 mg, 0.25 mmol, 0.1 eq) and B2Pin2 (756 mg, 2.98 mmol, 1.2 eq) were dissolved in 1,4-dioxane (15 ml). The reaction mixture was stirred for 12 hours by raising the temperature to 100 ° C.After completion of the reaction, the reaction mixture was filtered through celite, and extracted with ethyl acetate. The organic layer was washed with H 2 O, then dried over anhydrous MgSO 4 and the solvent was removed under reduced pressure. Then, the reaction mixture was separated and purified by MPLC (hexane / ethyl acetate) to obtain the target compound (Formula 18-3).

Reference： [1]Current Patent Assignee: UNIVERSITY HEALTH NETWORK - WO2013/53051, 2013, A1 Location in patent: Page/Page column 68; 81
[2]Current Patent Assignee: DAEGU GYEONGBUK MEDICAL INNOVATION FOUNDATION; NATIONAL CANCER CENTER JAPAN - KR2019/109007, 2019, A Location in patent: Paragraph 0316; 0320-0322
[3]Current Patent Assignee: DAEGU GYEONGBUK MEDICAL INNOVATION FOUNDATION - KR2020/30970, 2020, A Location in patent: Paragraph 0424; 0428-0430

Yield	Reaction Conditions	Operation in experiment
	With triphenylphosphine; diethylazodicarboxylate In toluene for 0.5h;	Intermediate 8: 4-(4-bromo-2-fluoro-phenoxy)tetrahydropyran General procedure: Intermediate 8: 4-(4-bromo-2-fluoro-phenoxy)tetrahydropyran. [0219] A solution of tetrahydropyran-4-ol (914 mg, 8.96 mmol), 4-bromo-2-fluoro- phenol (1.926 g, 10.0 mmol) and PPh3 (2.588 g, 9.9 mmol) in toluene (30 mL) was treated with diethyl azodicarboxylate (40 wt% in toluene, 5 mL, 10 mmol) and stirred for 30 min. The reaction was diluted with EtOAc, washed with H20 and brine, dried (MgS04), filtered and concentrated. Purification by two MPLC columns (Si02, EtOAc/Hexanes, 0 - 50%) provided the title compound.

9
[ 215453-84-2 ]
ethyl 2-(4-((1-bromo-5-(difluoromethoxy)pentan-3-yl)oxy)phenyl)-2-phenylacetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: lithium hexamethyldisilazane; DavePhos; palladium diacetate / toluene / 4 h / -78 - 80 °C / Schlenk technique 2: lithium bromide; potassium hydrogen difluoride / dichloromethane; water / 24 h / 20 °C

Reference： [1]Zhang, Rongyi; Li, Qigang; Xie, Qiqiang; Ni, Chuanfa; Hu, Jinbo [Chemistry - A European Journal, 2021, vol. 27, # 71, p. 17773 - 17779]

10
[ 215453-84-2 ]
ethyl 3,3-difluoro-2-phenyl-2-(4-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)propanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: lithium hexamethyldisilazane; DavePhos; palladium diacetate / toluene / 4 h / -78 - 80 °C / Schlenk technique 2.1: potassium <i>tert</i>-butylate / toluene / 0.17 h / 20 °C / Schlenk technique; Inert atmosphere 2.2: 1 h / Inert atmosphere; Schlenk technique

Reference： [1]Zhang, Rongyi; Li, Qigang; Xie, Qiqiang; Ni, Chuanfa; Hu, Jinbo [Chemistry - A European Journal, 2021, vol. 27, # 71, p. 17773 - 17779]

11
[ 215453-84-2 ]
[ 101-97-3 ]
ethyl 2-phenyl-2-(4-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
41%	With palladium diacetate; lithium hexamethyldisilazane; DavePhos In toluene at -78 - 80℃; for 4h; Schlenk technique;

Reference： [1]Zhang, Rongyi; Li, Qigang; Xie, Qiqiang; Ni, Chuanfa; Hu, Jinbo [Chemistry - A European Journal, 2021, vol. 27, # 71, p. 17773 - 17779]

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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

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 215453-84-2 ]

Quality Control of [ 215453-84-2 ]

Related Doc. of [ 215453-84-2 ]

Product Details of [ 215453-84-2 ]

Calculated chemistry of of [ 215453-84-2 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 215453-84-2 ]

Application In Synthesis of [ 215453-84-2 ]

[ 215453-84-2 ] Synthesis Path-Downstream 1~11

Related Functional Groups of [ 215453-84-2 ]

Bromides

Aryls

Ethers

Related Parent Nucleus of [ 215453-84-2 ]

Tetrahydropyrans

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 215453-84-2 ]

Related Parent Nucleus of
[ 215453-84-2 ]