[ CAS No. 757239-60-4 ] {[proInfo.proName]}

Name: 757239-60-4|Methyl 1-Cbz-azetidine-3-carboxylate|97%
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SKU: A440047
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Quality Control of [ 757239-60-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 757239-60-4 ]

CAS No. :	757239-60-4	MDL No. :	MFCD11110708
Formula :	C₁₃H₁₅NO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VMBHUIMZBSWWCN-UHFFFAOYSA-N
M.W :	249.26	Pubchem ID :	45072502
Synonyms :

Calculated chemistry of [ 757239-60-4 ]

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.38
Num. rotatable bonds :	6
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	67.91
TPSA :	55.84 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.93 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.73
Log Po/w (XLOGP3) :	1.25
Log Po/w (WLOGP) :	0.9
Log Po/w (MLOGP) :	1.31
Log Po/w (SILICOS-IT) :	1.3
Consensus Log Po/w :	1.5

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.02
Solubility :	2.36 mg/ml ; 0.00947 mol/l
Class :	Soluble
Log S (Ali) :	-2.02
Solubility :	2.38 mg/ml ; 0.00953 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.51
Solubility :	0.772 mg/ml ; 0.0031 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.67

Safety of [ 757239-60-4 ]

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 [ 757239-60-4 ]

* 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 [ 757239-60-4 ]
Downstream synthetic route of [ 757239-60-4 ]

[ 757239-60-4 ] Synthesis Path-Upstream 1~4

1
[ 757239-60-4 ]
[ 97628-92-7 ]

Yield	Reaction Conditions	Operation in experiment
100%	at 20℃; for 3 h;	0076] 1-1 (4.5 g, 18.05 mmol) was dissolved in methanol (90 mL) and 2 M NaOH (27 mL, 54.2 mmol) was added.After stirring at ambient temperature for 3 hours, the solution was concentrated to be about 20 mL. 1 M HCl was addedto the resulting solution until pH reached 4 and the solution was extracted with EtOAc two times. The combined organiclayers were dried over Na2SO4 and concentrated to provide 1-2 (4.4 g, 100percent) as a white solid. MS: m/z = 236.2 (M+H).benzyl 3-(1-methyl-1H-benzimidazol-2-yl)azetidine-1-carboxylate (1-3)[0077] 1-2 (3.0 g, 12.75 mmol) was dissolved in THF (64 mL) and N-methylbenzene-1,2-diamine (2.02 g, 16.58 mmol),EDC (2.93 g, 15.30 mmol), HOAt (2.08 g, 15.30 mmol), and Hunig’s base (6.7 mL, 38.3 mmol) were added. After stirringfor 18 hours at ambient temperature, the reaction solution was concentrated. The residue was then dissolved in aceticacid (30 mL). After stirring at ambient temperature for 2 hours, the solvent was removed. The residue was partitionedbetween ethyl acetate and 5percent aqueous NaHCO3. The organic layer was dried over Na2SO4 and concentrated. Theresidue was purified by silica gel chromatography (EtOAc/Hexanes) to provide 1-3 as a off-white solid (3.32 g, 81percent).MS: m/z = 322.4 (M+H).2-(azetidin-3-yl)-1-methyl-1H-benzimidazole (Intermediate 1)[0078]

Reference： [1] Patent: WO2013/52395, 2013, A1, . Location in patent: Paragraph 38; 39
[2] Patent: EP2763672, 2016, B1, . Location in patent: Paragraph 0075; 0076
[3] Patent: WO2014/78220, 2014, A1, . Location in patent: Page/Page column 30; 31

2
[ 100202-39-9 ]
[ 501-53-1 ]
[ 757239-60-4 ]

Yield	Reaction Conditions	Operation in experiment
99%	With sodium hydroxide In tetrahydrofuran; water at 0 - 20℃; for 18 h;	A round bottomed flask containing methyl azetidine-3-carboxylate hydrochloride(3 g, 20 mmol), THF (30 mL) and H20 (30 mL) was added with an aqueous solution ofNaOH (4 M, 5 mL, 20 mmol) at 0 °C, followed by benzyl chloroformate (2.84 mL, 20 mmol). The reaction was vigorously stirred at room temperature for 18 hours. The reaction mixture was concentrated in vacuo and the residue partitioned between Et20 (100 mL) and H20 (30 mL). The aqueous phase was back-extracted withEt20 (3 x 50 mL), the combined organic phases were dried (Na2SO4) and concentrated in vacuo to give the title compound (5 g, 99percent) as a colourless oil, which was used in subsequent steps without further purification.‘H NMR (400 MHz, CDC13): ö 7.43-7.25 (m, 5 H), 5.10 (s, 2 H), 4.23-4.13 (m, 4 H), 3.74 (s, 3 H), 3.38 (q, J = 7.2 Hz, 1 H).

Reference： [1] Patent: WO2016/177849, 2016, A1, . Location in patent: Page/Page column 74; 75
[2] Patent: US2011/183960, 2011, A1, . Location in patent: Page/Page column 27

3
[ 97628-92-7 ]
[ 18107-18-1 ]
[ 757239-60-4 ]

Yield	Reaction Conditions	Operation in experiment
96%	Stage #1: at 0℃; Stage #2: With acetic acid In methanol; hexanes; toluene	1-BENZYLOXYCARBONYL-3-AZETIDINECARBOXYLIC acid (from step (i); 9.3g, 39. 6MMOL) was dissolved in methanol (LOOML) and toluene (100mL), and cooled to 0°C. A solution of 2M trimethylsilyldiazomethane in hexanes was then added dropwise until bubbling had ceased and the yellow colour persisted. Acetic acid was then added dropwise until the yellow colour disappeared. Concentration of the solution yielded the title compound as an oil (9.48G, 38mmol, 96percent). IH NMR (400MHZ, CDC13) : 8 7.36-7. 31 (5H, m), 5.10 (2H, s), 4.19 (4H, D, J7. 8Hz), 3.75 (3H, s), 3.39 (1H, quintet, J 7. 8HZ).

Reference： [1] Patent: WO2004/78750, 2004, A1, . Location in patent: Page 81

4
[ 186581-53-3 ]
[ 97628-92-7 ]
[ 757239-60-4 ]

Yield	Reaction Conditions	Operation in experiment
98%	at 20℃; for 4 h;	EXAMPLE 27B; 1-benzyl 3-methylazetidine-1,3-dicarboxylate A solution of Example 27A (4.8 g, 20.3 mmol) in ether (100 ml) was treated with diazomethane (100 ml in ether, 60 mmol) at room temperature for 4 hours. Removal of the volatiles gave Example 27B (4.8 g Yield: 98percent). MS (DCI/NH₃) m/z 250 (M+H)⁺.

Reference： [1] Patent: US2006/229289, 2006, A1, . Location in patent: Page/Page column 19

[ 757239-60-4 ] Synthesis Path-Downstream 1~14

1
[ 97628-92-7 ]
[ 18107-18-1 ]
[ 757239-60-4 ]

Yield	Reaction Conditions	Operation in experiment
96%		1-BENZYLOXYCARBONYL-3-AZETIDINECARBOXYLIC acid (from step (i); 9.3g, 39. 6MMOL) was dissolved in methanol (LOOML) and toluene (100mL), and cooled to 0°C. A solution of 2M trimethylsilyldiazomethane in hexanes was then added dropwise until bubbling had ceased and the yellow colour persisted. Acetic acid was then added dropwise until the yellow colour disappeared. Concentration of the solution yielded the title compound as an oil (9.48G, 38mmol, 96percent). IH NMR (400MHZ, CDC13) : 8 7.36-7. 31 (5H, m), 5.10 (2H, s), 4.19 (4H, D, J7. 8Hz), 3.75 (3H, s), 3.39 (1H, quintet, J 7. 8HZ).

Reference： [1]Patent: WO2004/78750,2004,A1 .Location in patent: Page 81

2
[ 186581-53-3 ]
[ 97628-92-7 ]
[ 757239-60-4 ]

Yield	Reaction Conditions	Operation in experiment
98%	In diethyl ether; at 20℃; for 4h;	EXAMPLE 27B; 1-benzyl 3-methylazetidine-1,3-dicarboxylate A solution of Example 27A (4.8 g, 20.3 mmol) in ether (100 ml) was treated with diazomethane (100 ml in ether, 60 mmol) at room temperature for 4 hours. Removal of the volatiles gave Example 27B (4.8 g Yield: 98percent). MS (DCI/NH3) m/z 250 (M+H)+.

Reference： [1]Patent: US2006/229289,2006,A1 .Location in patent: Page/Page column 19

3
[ 757239-60-4 ]
[ 74-88-4 ]
[ 912444-78-1 ]

Yield	Reaction Conditions	Operation in experiment
85%	With sodium hexamethyldisilazane; In tetrahydrofuran; at -70 - -20℃; for 3h;	EXAMPLE 27C; 1-benzyl 3-methyl 3-methylazetidine-1,3-dicarboxylate A solution of Example 27B (250 mg, 1 mmol) and iodomethane (0.12 ml, 2.0 mmol) in THF (5 mL) was treated with NaN(TMS)2 in THF (1.0 M, 2 mL, 2.0 mmol) at -70 C. under nitrogen. The temperature of the cooling bath was slowly raised to -20 C. within 1 h and the mixture was stirred at the same temperature for additional 2 h. After quenching with water, the mixture was partitioned between water and EtOAc. The organic phase was washed with water and concentrated. The residue was purified by flash chromatography to give Example 27C (220 mg, 85% yield). MS (DCI/NH3) m/z 264 (M+H)+.

Reference： [1]Patent: US2006/229289,2006,A1 .Location in patent: Page/Page column 19

4
[ 757239-60-4 ]
[ 102191-92-4 ]
[ 757239-62-6 ]

Yield	Reaction Conditions	Operation in experiment
		Methyl l-benzyloxycarbonyl-3-azetidinecarboxylate (from step (ii); 10. 1G, 40MMOL) was dissolved in tetrahydrofuran (120mL) and cooled TO-78C. A solution of lithium HEXAMETHYLDISILAZIDE in tetrahydrofuran (1M, 58mL, 58mmol) was slowly added and the solution warmed to 0C. After 15 mins. at this temperature, the resulting solution was cooled back to-78C and tert-butyldimethylsilyloxy acetaldehyde was added and stirred to room temperature over 2hrs and quenched with water (200mL). This suspension was extracted with ethyl acetate (2x200mL). The extracts were dried (MgSO4) and concentrated. The residue was flushed through silica with 25% ethyl acetate in hexanes to give A 1: 2 mixture of 1-benzyl 3-methyl 3-(2-F [RE7T- butyl (dimethyl) SILYL] OXY}-L-HYDROXYETHYL) AZETIDINE-1, 3-DICARBOXYLATE : STARTING material (4.24g). This mixture was dissolved in tetrahydrofuran (30mL) and treated with lithium borohydride (395mg, 18MMOL). After 2hrs at room temperature, the mixture was quenched with IN sodium hydroxide solution (100mL) and extracted with ethyl acetate (2XLOOML). The extracts were dried (MGS04) and concentrated to give crude benzyl 3-(2-{ [TER-BUTYL (dimethyl) silyl] oxy}-1-hydroxyethyl)-3-(hydroxylmethyl) AZETIDINE-1-CARBOXYLATE. This was dissolved in tetrahydrofuran (100mL) and treated with 1M tetra-n-butylammonium fluoride in tetrahydrofuran (10mL, lOmmol). After stirring for lhr at room temperature, water (200mL) was added and the mixture extracted with ethyl acetate (2X200ML). The combined extracts were dried (MGS04) and concentrated. The residue was purified by silica chromatography to give the title compound as an oil (956mg, 3. 4mmol). H NMR (400 MHz, CDC13) : 8 7.37-7. 29 (5H, m), 5.09 (2H, s), 3.96-3. 64 (9H, m), 3.13 (2H, br m), 1.69 (1H, BR M).

Reference： [1]Patent: WO2004/78750,2004,A1 .Location in patent: Page 81-82

5
[ 100202-39-9 ]
[ 501-53-1 ]
[ 757239-60-4 ]

Yield	Reaction Conditions	Operation in experiment
99%	With sodium hydroxide; In tetrahydrofuran; water; at 0 - 20℃; for 18h;	A round bottomed flask containing <strong>[100202-39-9]methyl azetidine-3-carboxylate hydrochloride</strong>(3 g, 20 mmol), THF (30 mL) and H20 (30 mL) was added with an aqueous solution ofNaOH (4 M, 5 mL, 20 mmol) at 0 C, followed by benzyl chloroformate (2.84 mL, 20 mmol). The reaction was vigorously stirred at room temperature for 18 hours. The reaction mixture was concentrated in vacuo and the residue partitioned between Et20 (100 mL) and H20 (30 mL). The aqueous phase was back-extracted withEt20 (3 x 50 mL), the combined organic phases were dried (Na2SO4) and concentrated in vacuo to give the title compound (5 g, 99%) as a colourless oil, which was used in subsequent steps without further purification.?H NMR (400 MHz, CDC13): oe 7.43-7.25 (m, 5 H), 5.10 (s, 2 H), 4.23-4.13 (m, 4 H), 3.74 (s, 3 H), 3.38 (q, J = 7.2 Hz, 1 H).
	With triethylamine; In dichloromethane; at 20℃;	(i) 1-Benzyl 3-methyl 1,3-azetidinedicarboxylate 10 g of azetidine-3-carboxylic methyl ester hydrochloride and then 23 ml of triethylamine are added to 150 ml of CH2Cl2. The mixture is cooled and 13.5 g of benzyl chloroformate are added. After leaving overnight at AT, washing is carried out with water and then with HCl (N). After drying, concentrating to dryness and purifying by chromatography on silica (eluent: heptane-AcOEt (gradient from 0% to 50%)), 13.1 g of the expected compound are obtained.

Reference： [1]Patent: WO2016/177849,2016,A1 .Location in patent: Page/Page column 74; 75
[2]Patent: US2011/183960,2011,A1 .Location in patent: Page/Page column 27

6
[ 108-86-1 ]
[ 757239-60-4 ]
[ 1207203-36-8 ]

Yield	Reaction Conditions	Operation in experiment
6%	With tris(dibenzylideneacetone)dipalladium/tri-tert-butylphosphonium tetrafluoroborate; lithium hexamethyldisilazane; In toluene; at 0 - 20℃; for 18.83h;Inert atmosphere;	To a round bottomed flask containing Pd2(dba)3.HP(tBu)3BF4 (500 mg, 0.38 mmol) under N2 was added with a solution of LiHMDS (1 M in toluene, 48 mL, 48mol). The reaction was stirred for 20 minutes and cooled to 0 C. Bromobenzene (4.4 mL,42 mmol) was added, followed by a solution of 01-benzyl 03-methyl azetidine-1,3-dicarboxylate (5 g, 20 mmol) in degassed toluene (60 mL) dropwise under N2. Thereaction was stirred for a further 30 minutes at 0 C, then stirred at room temperature for18 hours. The reaction was diluted with 10% citric acid solution (50 mL) and extractedwith EtOAc (2 x 100 mL). The combined organic phases were dried (Na2SO4), filtered and concentrated in vacuo. The crude residue was purified by silica gel chromatography eluting with 0-20% EtOAc in isohexane to give the title compound, as an oil (420 mg, 6% yield).?H NMR (400 MHz, CDC13): oe 7.42-7.22 (m, 10 H), 5.10 (s, 2 H), 4.69 (d, J = 8.3Hz, 2 H), 4.39 (d, J = 9.0 Hz, 2 H), 3.71 (s, 3 H). LCMS (Method 2): [MH+] = 326 at3.92 mm.
		(ii) 1-Benzyl 3-methyl 3-phenyl-1,3-azetidinedicarboxylate 5.11 ml of bromobenzene, then 0.5 g of Pd(dba)2, 2.15 ml of a 10% solution of tri(tert-butyl)phosphine (P(tBu)3) in hexane and then 8.4 g of LiHMDS are added to 40 ml of toluene. 11 g of the compound obtained in the preceding stage (i) in 10 ml of toluene are added while maintaining the temperature between 15 and 20 C. After leaving overnight, the mixture is poured onto a saturated NH4Cl solution, extraction is carried out with ether and the extract is dried with MgSO4 and concentrated to dryness. After purifying by chromatography on silica (eluent: heptane-AcOEt (gradient from 0% to 30%)), 3.25 g of the expected compound are obtained.

Reference： [1]Patent: WO2016/177849,2016,A1 .Location in patent: Page/Page column 74; 76
[2]Patent: US2011/183960,2011,A1 .Location in patent: Page/Page column 27

7
[ 757239-60-4 ]
[ 1207203-37-9 ]

Reference： [1]Patent: US2011/183960,2011,A1
[2]Patent: WO2016/177849,2016,A1

8
[ 757239-60-4 ]
[ 1207203-38-0 ]

Reference： [1]Patent: US2011/183960,2011,A1

9
[ 757239-60-4 ]
[ 97628-92-7 ]

Yield	Reaction Conditions	Operation in experiment
100%	With methanol; sodium hydroxide; at 20℃; for 3h;	0076] 1-1 (4.5 g, 18.05 mmol) was dissolved in methanol (90 mL) and 2 M NaOH (27 mL, 54.2 mmol) was added.After stirring at ambient temperature for 3 hours, the solution was concentrated to be about 20 mL. 1 M HCl was addedto the resulting solution until pH reached 4 and the solution was extracted with EtOAc two times. The combined organiclayers were dried over Na2SO4 and concentrated to provide 1-2 (4.4 g, 100percent) as a white solid. MS: m/z = 236.2 (M+H).benzyl 3-(1-methyl-1H-benzimidazol-2-yl)azetidine-1-carboxylate (1-3)[0077] 1-2 (3.0 g, 12.75 mmol) was dissolved in THF (64 mL) and N-methylbenzene-1,2-diamine (2.02 g, 16.58 mmol),EDC (2.93 g, 15.30 mmol), HOAt (2.08 g, 15.30 mmol), and Hunig?s base (6.7 mL, 38.3 mmol) were added. After stirringfor 18 hours at ambient temperature, the reaction solution was concentrated. The residue was then dissolved in aceticacid (30 mL). After stirring at ambient temperature for 2 hours, the solvent was removed. The residue was partitionedbetween ethyl acetate and 5percent aqueous NaHCO3. The organic layer was dried over Na2SO4 and concentrated. Theresidue was purified by silica gel chromatography (EtOAc/Hexanes) to provide 1-3 as a off-white solid (3.32 g, 81percent).MS: m/z = 322.4 (M+H).2-(azetidin-3-yl)-1-methyl-1H-benzimidazole (Intermediate 1)[0078]
	With sodium hydroxide; In methanol; at 20℃; for 3h;	Step 1 : l-[(benzyloxy)carbonyl]azetidine-3-carboxylic acid (1-2) 1-1 (4.5 g, 18.05 mmol) was dissolved in MeOH (90 mL) and 2 M NaOH (27 mL, 54.2 mmol) was added. After stirring at room temperature for 3 h, the solution was concentrated to ~20 mL. 1 M HC1 was added to the resulting solution until pH reached 4 and the solution was extracted with EtOAc (2x). The combined organic layer was dried over Na2S04, filtered, and concentrated to provide 1-2 as a white solid. MS: m/z = 236.2 (M+H).

Reference： [1]Patent: WO2013/52395,2013,A1 .Location in patent: Paragraph 38; 39
[2]Patent: EP2763672,2016,B1 .Location in patent: Paragraph 0075; 0076
[3]Patent: WO2014/78220,2014,A1 .Location in patent: Page/Page column 30; 31

10
[ 757239-60-4 ]
[ 1429752-94-2 ]

Reference： [1]Patent: WO2014/78220,2014,A1
[2]Patent: EP2763672,2016,B1
[3]Patent: WO2013/52395,2013,A1

11
[ 757239-60-4 ]
[ 75-65-0 ]
[ 1236144-51-6 ]

Yield	Reaction Conditions	Operation in experiment
		A solution of 01-benzyl-03-methyl azetidine-1,3-dicarboxylate (6.80 g,27.3 mmol) in MeOH (100 mL) was added with a 2 N NaOH solution (41 mL,81.9 mmol) and the mixture was stirred at room temperature for 3 hours. The organic solvent was removed in vacuo, the residual solution cooled to 0C and acidified to pH 4-5 with iN HC1 and extracted with DCM (3 x 20 mL). The combined organic extracts were filtered through a phase separator and the solvent was removed in vacuo. The residue waspurified by chromatography on silica gel eluting with MeOH/DCM to give a colourless oil. t-BuOH (2.36 g, 31.9 mmol) in DCM (30 mL), DMAP (0.78 g, 6.4 mmol) and EDCI (3.67 g, 19.1 mmol) were added successively to the oil, and the mixture was stirred at room temperature for 3 hours. The solvent was removed in vacuo and the residue was taken up in EtOAc and washed with 10% citric acid ( 2 x 20 mL), and saturated NaHCO3solution. The organic phase was dried over MgSO4, filtered and solvent was removed in vacuo to give 01-benzyl 03-tert-butyl azetidine-1,3-dicarboxylate as a colourless oil.?H NMR (400 MHz, CDC13): oe 7.36-7.34 (m, 5 H), 5.10 (s, 2 H), 4.14 (d, J = 7.7 Hz, 4 H), 3.32-3.24 (m, 1 H), 1.46 (s, 9 H).

Reference： [1]Patent: WO2016/177849,2016,A1 .Location in patent: Page/Page column 78; 79

12
[ 757239-60-4 ]
O₁-benzyl-O₃-[(3R)-quinuclidin-3-yl]-3-phenylazetidine-1,3-dicarboxylate [ No CAS ]

Reference： [1]Patent: WO2016/177849,2016,A1

13
[ 757239-60-4 ]
O₁-benzyl-O₃-tert-butyl-3-phenylazetidine-1,3-dicarboxylate [ No CAS ]

Reference： [1]Patent: WO2016/177849,2016,A1

14
[ 757239-60-4 ]
O₁-benzyl-O₃-[(3R)-1-methylpyrrolidin-3-yl]-3-phenylazetidine-1,3-dicarboxylate [ No CAS ]

Reference： [1]Patent: WO2016/177849,2016,A1

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P230	Keep wetted
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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

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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. 757239-60-4 ] {[proInfo.proName]}

Quality Control of [ 757239-60-4 ]

Related Doc. of [ 757239-60-4 ]

Product Details of [ 757239-60-4 ]

Calculated chemistry of [ 757239-60-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 757239-60-4 ]

Application In Synthesis of [ 757239-60-4 ]

[ 757239-60-4 ] Synthesis Path-Upstream 1~4

[ 757239-60-4 ] Synthesis Path-Downstream 1~14

Related Functional Groups of [ 757239-60-4 ]

Aryls

Amides

Esters

Related Parent Nucleus of [ 757239-60-4 ]

Azetidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 757239-60-4 ]

Related Parent Nucleus of
[ 757239-60-4 ]