[ CAS No. 279236-52-1 ]

Name: 279236-52-1|2-(1-Carbamoylpiperidin-4-yl)acetic acid|95%
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Quality Control of [ 279236-52-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 279236-52-1 ]

CAS No. :	279236-52-1	MDL No. :	MFCD20638954
Formula :	C₈H₁₄N₂O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UHCZEASPZTXWPC-UHFFFAOYSA-N
M.W :	186.21 g/mol	Pubchem ID :	18722251
Synonyms :

Calculated chemistry of [ 279236-52-1 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	50.34
TPSA :	83.63 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.92
Log Po/w (XLOGP3) :	-0.61
Log Po/w (WLOGP) :	-0.13
Log Po/w (MLOGP) :	0.12
Log Po/w (SILICOS-IT) :	-0.65
Consensus Log Po/w :	-0.07

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-0.41
Solubility :	72.1 mg/ml ; 0.387 mol/l
Class :	Very soluble
Log S (Ali) :	-0.67
Solubility :	39.4 mg/ml ; 0.212 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.26
Solubility :	336.0 mg/ml ; 1.8 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.31

Safety of [ 279236-52-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 279236-52-1 ]

* 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 [ 279236-52-1 ]

[ 279236-52-1 ] Synthesis Path-Downstream 1~9

1
[ 279236-52-1 ]
[ 126570-70-5 ]
[ 205984-21-0 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 22℃; for 24h;

Reference： [1]Wolin, Ronald; Connolly, Michael; Kelly, Joseph; Weinstein, Jay; Rosenblum, Stuart; Afonso, Adriano; James, Linda; Kirschmeier, Paul; Bishop, W. Robert [Bioorganic and Medicinal Chemistry Letters, 1998, vol. 8, # 18, p. 2521 - 2526]

2
[ 279236-52-1 ]
[ 140919-15-9 ]
[ 205984-20-9 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 22℃; for 24h;

3
C₂HF₃O₂*C₁₄H₂₀Cl₂N₂O [ No CAS ]
[ 279236-52-1 ]
[ 514844-20-3 ]

Yield	Reaction Conditions	Operation in experiment
42%	With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide) at 20℃; for 120h;	118 Example 118 [0330] A solution of the product from Preparative Example 33 (0.64 mmol), carboxamidopiperadineacetic acid (0.29 g, 1.3 eq.), DEC (0.17 g, 1.3 eq.), HOBt (0.12 g, 1.3 eq.), and NMM (0.36 mL, 5.0 eq.) in DMF (8.0 mL) was stirred at room temperature 5 days. The reaction was quenched by the addition of 1N NaOH and extracted with CH2Cl2. The combined organics were dried over Na2SO4, filtered, and concentrated. The crude product was purified by flash chromatography using a 15% MeOH in CH2Cl2 solution as eluent (0.13 g, 42% yield); FABMS: MH+=471; mp=63-68° C.

Reference： [1]Current Patent Assignee: MERCK & CO INC - US2003/232837, 2003, A1 Location in patent: Page 36

4
[ 279236-51-0 ]
[ 279236-52-1 ]

Yield	Reaction Conditions	Operation in experiment
100%	With lithium hydroxide In ethanol; dichloromethane; water for 3h; Heating / reflux;	24.C Step C A solution of the title compound from Preparative Example 24, Step B (1.23 g, 5.7 mmol) and LiOH (0.33 g, 2.4 eq.) in CH2Cl2 (29 mL), EtOH (29 mL) and water (14 mL) was heated at reflux 3 hours. The resulting solution was cooled to room temperature, neutralized by the addition of 1N HCl (16.1 mL, 2.98 eq.) and concentrated under reduced pressure. The reaction product was further dried by the azeotropic removal of water with toluene to yield an off-white gum (1.1 g, quantitative yield). FABMS: MH+=187.
100%	With lithium hydroxide; water In ethanol; dichloromethane for 3h; Heating / reflux;	55.C Step C [0321] A solution of the product from Step B above, (1.23 g, 5.7 mmol) and LiOH (0.33 g, 2.4 eq.) in CH2Cl2 (29 mL), EtOH (29 mL) and water (14 mL) was heated at reflux for 3 hours. The resulting solution was cooled to room temperature, neutralized by the addition of 1N HCl (16.1 mL, 2.98 eq.) and concentrated under reduced pressure. The reaction product was further dried by the azeotropic removal of water with toluene to yield a gum (1.1 g, quantitative yield). FABMS: MH+=187.
	Stage #1: (1-carbamoyl-piperidin-4-yl)-acetic acid ethyl ester With lithium hydroxide; water In ethanol; dichloromethane at 50℃; for 5h; Stage #2: With hydrogenchloride In ethanol; dichloromethane; water for 0.0833333h;	21.C Step C [1991] Product from Step B above (40.63 mg; 0.1896 mmol) was taken up in EtOH (2 ml) and CH2Cl2 (2 ml) and treated with 1 M LiOH (0.5 ml; 0.455 mmol). The reaction mixture was heated to 50° C. and stirred for 5 hr. The reaction was cooled to room temperature treated with 1N HCl (0.57 ml; 0.531 mmol) and stirred for 5 minutes. The resultant mixture was concentrated and dried under high vacuum for 4 days affording the title compound as a white solid. (223)

With lithium hydroxide; water In ethanol; dichloromethane at 50℃; for 5.5h;

20 Ethyl 1-aminocarbonyl-4-piperidinyl acetate (153.6mg, 0.717mmoles) is dissolved in anhydrous CH2Cl2 (3.58mL) and EtOH (3.58mL). To the solution is added 1 0M LiOH (1.73mL, 1.73mmoles) and the mixture is stirred at 50°C for 5.5h. The mixture is cooled quickly to 25°C and 1.0N HCl (2.02mL, 2.02mmoles) is added and the mixture stirred for 5 minutes and then rotovapped to dryness to give the title compound which is used without further purification.

Reference： [1]Current Patent Assignee: MERCK & CO INC - US2004/138226, 2004, A1 Location in patent: Page 24
[2]Current Patent Assignee: MERCK & CO INC - US2003/232837, 2003, A1 Location in patent: Page 30
[3]Current Patent Assignee: MERCK & CO INC; LIGAND PHARMACEUTICALS INC - US2004/122018, 2004, A1 Location in patent: Page 198
[4]Current Patent Assignee: MERCK & CO INC; LIGAND PHARMACEUTICALS INC - EP1140909, 2005, B1 Location in patent: Page/Page column 86

5
[ 892393-16-7 ]
[ 279236-52-1 ]
C₃₈H₄₃ClN₈O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
52%	With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; for 45h;	30 Compound (20.3), isomer 2 (0.15g, 0.285mmoles) (prepared as described in Example 20 above), 1-(3-dimethyl-aminopropyl)-3~ethylcarbodiimide hydrochloride (0.0709g, 0.371 mmoles), 1-hydroxy-benzotriazole (0.05g, 0.371 mmoles) and 4- methylmorpholine (0.814mL, 0.741 mmoles) were dissolved in anhydrous DMF (1 mL) and 1-(carboxamido-piperidine)-4-acetic acid (0.0691 g, 0.371 mmoles) was added in anhydrous DMF (3ml_).The mixture was stirred at 25°C for 45h. and the reaction was then worked up as described in Preparative Example 6, Step A above. The product was chromatographed on silica gel using 6% (10% cone. NH4OH in methanol)- dichloromethane as the eluant to give compound (30.1) (0.1033g, 52%): FABMS: m/z 695.3 (MH+); HRFABMS: m/z 695.3234 (MH+). Calcd. C38H44N8O3CI: m/z 695.3225 (MH+); δH (CDCI3) 2.16 (3H, s, 4-CH3), 4.36 (1 H, s, CHCON), 4.83 (1 H, s, H11), 4.97 (2H, s, CH2-Im), 6.59 (1 H, s, Im-H5), 6.83 (1 H, d, Ar-H4.), 7.04-7.19 (5H, s and m, Ar- H), (7.27 (2H, dd, Ar-H3 and Ar-H5O, 7.37 (1 H, s, Im-H2), 7.41 (1 H, d, Ar-H4), 8.25 (1 H, d, Ar-H2) and 8.83ppm (1 H, bs, NHCO); δc (CDCI3) CH3: 13.7; CH2: 30.2, 30.8, 31.9, 32.0, 39.7, 44.1 , 44.3, 44.5, 50.7, 50.9, 52.6; CH: 32.9, 53.7, 78.7, 115.9, 118.2, 119.5/119.9, 123.0, 123.4, 126.1 , 129.5, 130.8, 132.4, 136.4, 139.3/139.4, 146.0; C: 134.1 , 135.6, 137.2, 137.2, 138.7, 139.1 , 141.4, 156.7,158.2, 168.7, 171.6, 172.4; [α]D20°c +74.6° (c= 0.50, MeOH).

Reference： [1]Current Patent Assignee: MERCK & CO INC - WO2006/65794, 2006, A1 Location in patent: Page/Page column 241

6
[ 892392-92-6 ]
[ 279236-52-1 ]
C₃₇H₄₁ClN₈O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
64%	With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; for 66h;	39 Compound (35.1), isomer 1 (silica gel) (0.14g, 0.273mmoles) (prepared as described in Example 35 above), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (0.068g, 0.355mmoles), 1-hydroxybenzotriazole (0.0479g, 0.355mmoles) and 4-methylmorpholine (0.039ml_, 0.355mmoles) were dissolved in anhydrous DMF (3mL) and 1-(carboxamido-piperidine)-4-acetic acid (0.0661 g, 0.355mmoles) was added in anhydrous DMF (2ml_). The mixture was stirred at 25°C for 41 h. Additional 1-(carboxamidopiperidine)-4-acetic acid (0.0102g, 0.0546mmoles) was added. The reaction was allowed to proceed for a total of 66h. The reaction was then worked up as described in Preparative Example 6, Step A above. The product was chromatographed on silica gel using 3.5% (10% cone. NH4OH in methanol)- dichloromethane as the eluant to give compound (39.1) (0.1185g, 64%): FABMS: m/z 681.38 (MH+); HRFABMS: m/z 681.3066 (MH+), Calcd. C37H42N8O3 m/z 681.3068; δH (CDCI3) 4.35 (1 H, dd, CHCON), 5.14 (2H, s, CH2-Im), 5.30 (1 H, s, H11), 6.95 (1 H, d, Ar-H4'), 6.95 (1 H, s, Im-H5), 7.14 (1 H, s, Im-H4), 7.18 (1 H, s, Ar-H7), 7.15-7.42 (4H, m, Ar-H)1 7.47 (1 H, s, Ar-H2.), 7.54 (1 H, d, Ar-H6.), 7.68 (1 H, d, Ar-H4), 7.71 (1 H, s, Im- H2), 8.38 (1 H, d, Ar-H2) and 9.78/9.94ppm (1 H, s, NHCO); δc (CDCI3) (Principal rotamer) CH2: 30.7, 31.7, 32.0, 38.4, 42.0, 44.3, 44.7, 44.8, 50.7, 50.7; CH: 39.0, 58.4, 118.0, 119.0, 119.5, 123.0, 123.9, 126.7, 129.7, 130.7, 130.7, 132.8, 137.3, 137.5, 138.6, 140.2, 146.4; C: 73.5, 134.9, 135.4, 137.3, 141.4, 155.2, 158.2, 168.2, 170.9; [α]D25°c +76.1° (c= 0.51 , MeOH).

Reference： [1]Current Patent Assignee: MERCK & CO INC - WO2006/65794, 2006, A1 Location in patent: Page/Page column 251-252

7
[ 892392-98-2 ]
[ 279236-52-1 ]
C₃₇H₄₁ClN₈O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%	With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; for 166h;	45 Compound (41.1), isomer 1 (silica gel) (0.0356g, 0.069mmoles) (prepared as described in Example 41 above), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (0.0173g, 0.09mmoles), 1-hydroxybenzotriazole (0.0122g, 0.09mmoles) and 4-methylmorpholine (0.0099ml_, 0.09mmoles) were dissolved in anhydrous DMF (1 mL) and 1-(carboxamidopiperidine)-4-acetic acid (0.0168g, 0.09mmoles) was added in anhydrous DMF (1 mL). The mixture was stirred at 250C for 166h. The reaction was then worked up as described in Preparative Example 6, Step A above. The product was chromatographed on silica gel using 3.5% (10% cone. NH4OH in methanol)- EPO dichloromethane as the eluant to give compound (45.1), isomer 1 (isomer 1 , silica gel)(0.014g, 30%): FABMS: m/z 681.2 (MH+); HRFABMS: m/z 681.3066 (MH+), Calcd. C37H42N8OS mZz 681.3068; δH (CDCI3) 4.35 (1 H, dd, CHCON), 5.14 (2H, s, CH2-Im), 5.30 (1 H, s, H11), 6.94 (1 H, d, Im-H5), 6.97 (1 H s, Ar-H4O, 7.11 (1 H, s, Ar-H7), &.15 (1 H, s, Im-H4), 7.15-7.42 (4H, m, Ar-H), 7.47 (1 H, s, Ar-H2-), 7.54 (1 H, d, Ar-H6'), 7.68 (1 H, d, Ar-H4), 7.69 (1 H, s, Im-H2), 8.38 (1 H, d, Ar-H2) and 9.77/9.93ppm (1 H, s, NHCO); δc (CDCI3) (Principal rotamer) CH2: 30.7, 31.7, 31.9, 38.4, 38.4, 42.0, 44.3, 44.8, 44.9, 50.8, 50.8; CH: 32.6, 39.0, 58.6, 118.0, 119.0, 119.6, 123.1 , 123.9, 126.8, 129.8, 130.8, 130.8, 132.9, 137.4, 137.5, 138.5, 140.2, 146.5; C: 73.5, 134.9, 135.3, 137.4, 141.4, 155.1 , 158.2, 168.2, 170.8; [α]D25°c -58.3° (c= 0.17, MeOH).

Reference： [1]Current Patent Assignee: MERCK & CO INC - WO2006/65794, 2006, A1 Location in patent: Page/Page column 257-258

8
[ 892392-99-3 ]
[ 279236-52-1 ]
C₃₇H₄₁ClN₈O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
49%	With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; for 166h;	46 Compound (42.1), isomer 2 (silica gel) (0.0912g, 0.178mmoles) (prepared as described in Example 42 above), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (0.0443g, 0.231 mmoles), 1-hydroxybenzotriazole (0.0312g, 0.231 mmoles) and 4-methylmorpholine (0.0254mL, 0.231 mmoles) were dissolved in anhydrous DMF (2ml_) and 1-(carboxamidopiperidine)-4-acetic acid (0.0431 g, 0.231 mmoles) was added in anhydrous DMF (2mL). The mixture was stirred at 25°C for 166h. The reaction was then worked up as described in Preparative Example 6, Step A above. The product was chromatographed on silica gel using 3.5% (10% cone. NH4OH in methanol)-dichloromethane as the eluant to give compound (46.1), isomer EPO 2 (isomer 2, silica gel) (0.059g, 49%): FABMS: m/z 681.3 (MH+); HRFABMS: m/z681.3066 (MH+), Calcd. C37H42N8O3 InZz 681.3068; δH (CDCI3) 4.30 (1 H, d, CHCON), 5.12 (2H, d, CH2-Im), 5.28/5.30 (1 H, s, H11), 6.92 (1 H, s, Im-H5), 6.94 (1 H, d, Ar-H4-), 7.10 (1 H, s, Ar-H7), 7.14-7.32 (6H, m, Ar-H and Im-H4), 7.36 (1 H, s, Ar-H2-), 7.41 (1 H, d, Ar-H6-), 7.60 (1 H, s, Im-H2), 8.33 (1 H, d, Ar-H2) and 9.30ppm (1 H, s NHCO); δc (CDCI3) (Principal rotamer) CH2: 31.2, 31.9, 32.0, 37.3, 40.4, 44.3, 44.5, 44.6, 50.7, 50.7; CH: 32.6, 38.9, 59.7, 117.7, 118.8, -119.6, 123.2, 123.7, 127.0, 129.8, 130.4, 130.4, 132.6, 137.5, 137.5, 138.3, 140.2, 146.8; C: 73.3, 134.7, 134.8, 137.5, 141.3, 155.0, 158.2, 169.1 , 171.0; [α]D25°C +80.0° (c= 0.23, MeOH).

Reference： [1]Current Patent Assignee: MERCK & CO INC - WO2006/65794, 2006, A1 Location in patent: Page/Page column 258-259

9
Ethyl 1-aminocarbonyl-4-piperidinyl acetate [ No CAS ]
[ 279236-52-1 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; LiOH In ethanol; dichloromethane	P.20 1-Aminocarbonyl-4-piperidinylacetic acid Preparative Example 20 1-Aminocarbonyl-4-piperidinylacetic acid Ethyl 1-aminocarbonyl-4-piperidinyl acetate (153.6 mg, 0.717 mmoles) is dissolved in anhydrous CH2Cl2 (3.58 mL) and EtOH (3.58 mL). To the solution is added 1.0M LiOH (1.73 mL, 1.73 mmoles) and the mixture is stirred at 50° C. for 5.5 h. The mixture is cooled quickly to 25° C. and 1.0N HCl (2.02 mL, 2.02 mmoles) is added and the mixture stirred for 5 minutes and then rotovapped to dryness to give the title compound which is used without further purification.

Reference： [1]Current Patent Assignee: LIGAND PHARMACEUTICALS INC - US6432959, 2002, B1

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P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 279236-52-1 ]

Quality Control of [ 279236-52-1 ]

Related Doc. of [ 279236-52-1 ]

Product Details of [ 279236-52-1 ]

Calculated chemistry of [ 279236-52-1 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 279236-52-1 ]

Application In Synthesis of [ 279236-52-1 ]

[ 279236-52-1 ] Synthesis Path-Downstream 1~9

Related Functional Groups of [ 279236-52-1 ]

Amides

Carboxylic Acids

Related Parent Nucleus of [ 279236-52-1 ]

Piperidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 279236-52-1 ]

Related Parent Nucleus of
[ 279236-52-1 ]