[ CAS No. 287193-01-5 ] {[proInfo.proName]}

Name: 287193-01-5|tert-Butyl 3-ethynylazetidine-1-carboxylate|97%
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Quality Control of [ 287193-01-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 287193-01-5 ]

CAS No. :	287193-01-5	MDL No. :	MFCD17016080
Formula :	C₁₀H₁₅NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UENGYBYGCXKNRF-UHFFFAOYSA-N
M.W :	181.23	Pubchem ID :	54349237
Synonyms :

Calculated chemistry of [ 287193-01-5 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.7
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	54.75
TPSA :	29.54 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.79
Log Po/w (XLOGP3) :	1.25
Log Po/w (WLOGP) :	1.19
Log Po/w (MLOGP) :	1.61
Log Po/w (SILICOS-IT) :	1.14
Consensus Log Po/w :	1.59

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.55
Solubility :	5.07 mg/ml ; 0.028 mol/l
Class :	Very soluble
Log S (Ali) :	-1.47
Solubility :	6.16 mg/ml ; 0.034 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.8
Solubility :	28.9 mg/ml ; 0.159 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.42

Safety of [ 287193-01-5 ]

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 [ 287193-01-5 ]

* 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 [ 287193-01-5 ]
Downstream synthetic route of [ 287193-01-5 ]

[ 287193-01-5 ] Synthesis Path-Upstream 1~4

1
[ 177947-96-5 ]
[ 90965-06-3 ]
[ 287193-01-5 ]

Yield	Reaction Conditions	Operation in experiment
94%	With potassium carbonate In methanol at 0℃; for 3 h;	To a stirringsolution of aldehyde1.3 (5 g, 27 mmol) in MeOH (70 ml)at ooc was added the Bestmannreagent (6 g, 31.2 mmol), followed by potassium carbonate(14.92 g, 108mmol) and the reaction was stirred for 3 hr. The reaction mixture was then diluted with EtOAc 5 (150 ml), filtered and concentrated under reduced pressureto give a crude, which was purified by flash chromatography (silicagel/ 0-100percent EtOAc in hexanes)to yield compound1.4 (4.6 g,94percent).1H NMR {400 MHz, DMSO-d6)o 1.34 (s, 9 H), 3.22-3.23(m, 1 H), 3.34-3.39 (m, 1 H), 3.68 (t, J = 6.8, 2 H), 4.04 (t, J = 8.4 Hz, 2 H).
94%	With potassium carbonate In methanol at 0℃; for 3 h;	To a solution of tert-butyl 3-formylazetidine-l-carboxylate (5.0 g, 27 mmol) in MeOH (70 mL) at 0 °C was added dimethyl (l-diazo-2-oxopropyl)phosphonate (6.0 g, 31 mmol), followed by potassium carbonate (14.9 g, 108 mmol) and the reaction was stirred for 3 hr. The reaction mixture was then diluted with EtOAc (150 mL), filtered and concentrated under reduced pressure. The residue was purified by flash chromatography (0 -100 percent EtOAc in hexanes) to give the title compound (4.6 g, 94percent). ^XH NMR (400 MHz, DMSO-d6) δ 4.04 (t, J = 8.4 Hz, 2 H), 3.68 (t, J= 6.8, 2 H), 3.34-3.39 (m, 1 H), 3.22-3.23 (m, 1 H), 1.34 (s, 9 H).
87%	With potassium carbonate In methanol at 0℃; for 4 h;	Step 1: Synthesis of tert-butyl 3-ethynylazetidine-1-carboxylate A solution of tert-butyl 3-formylazetidine-1-carboxylate (7 g, 1 eq) in MeOH (378 ml) was cooled at 0° C. K₂CO₃(10.5 g, 2 eq), dimethyl (1-diazo-2-oxopropyl)phosphonate (15.8 g, 2.2 eq) was added. The mixture was stirred for 4 hr at 0° C., and extracted with dichloromethane and water. The organic layer was washed with sat. aq. NH₄Cl, dried over anhydrous MgSO₄ and concentrated in vacuo. The residue was purified with column chromatography to prepare the title compound (5.95 g, 87percent). ¹H NMR (600 MHz, CDCl₃-d1); δ4.10-4.07 (m, 2H), 3.90-3.87 (m, 2H), 3.27-3.24 (m, 1H), 2.26-2.25 (m, 1H), 1.39 (s, 9H).

Reference： [1] Patent: WO2014/165075, 2014, A1, . Location in patent: Page/Page column 46; 47
[2] Patent: WO2016/4413, 2016, A2, . Location in patent: Paragraph 0279
[3] Patent: US2018/86709, 2018, A1, . Location in patent: Paragraph 0358-0359
[4] Patent: WO2015/51244, 2015, A1, . Location in patent: Paragraph 00655; 00709
[5] Patent: WO2016/105485, 2016, A2, . Location in patent: Paragraph 0219
[6] Patent: WO2017/112853, 2017, A1, . Location in patent: Paragraph 0193

2
[ 177947-96-5 ]
[ 4202-14-6 ]
[ 287193-01-5 ]

Yield	Reaction Conditions	Operation in experiment
93%	Stage #1: With sodium azide; caesium carbonate; methanesulfonyl chloride In acetonitrile at 0 - 20℃; for 3 h; Stage #2: With caesium carbonate In methanol; acetonitrile at 0℃;	Sodium azide (2.4 g, 37 mmol) is suspended in ACN (14 mL) and methanesulfonyl chloride (2.7 mL, 35 mmol) is added over 45 seconds. The resulting mixture is stirred overnight at room temperature and is then cooled to 0 °C, at which point dimethyl (2-oxopropyi)phosphonate (4.3 mL, 31 mrnoi) is added over 30 seconds followed by Cs2CO3 (11 g, 34 mniol). This mixture is stirred for 30 minutes at 0 °C andthen at room temperature for 2.5 hours. The mixture is recooled to 0 °C and MeOH (15.5 mL) is added. After 1 hour, tert-butyl 3-fhmiyiazetidine- I -carboxylate (3.0 g, 16 mmol)added followed by additional Cs2CO3 (9.1 g, 28 mmol), and 25 minutes later the ice-water bath is removed and the reaction is stirred overnight. The solvent is removed under vacuum to give an orange oil that is purified by silica gel chromatography using 50percent MTBE/hexanes, The title compound is obtained as a light yellow oil (2.68 g, 93percent). MS (mlz): 181 (M±H).

Reference： [1] Patent: WO2017/19429, 2017, A1, . Location in patent: Page/Page column 42; 43

3
[ 177947-96-5 ]
[ 67-56-1 ]
[ 287193-01-5 ]

Reference： [1] Patent: WO2017/19589, 2017, A1, . Location in patent: Paragraph 0193

4
[ 254454-54-1 ]
[ 287193-01-5 ]

Reference： [1] Organic Process Research and Development, 2018, vol. 22, # 10, p. 1409 - 1418

[ 287193-01-5 ] Synthesis Path-Downstream 1~5

1
[ 287193-01-5 ]
[ 452-74-4 ]
tert-butyl 3-[2-(2-fluoro-4-methyl-phenyl)ethynyl]azetidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40.7%	With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine; In tetrahydrofuran; at 25 - 60℃; for 12h;Inert atmosphere;	To a solution of tert-butyl 3-ethynylazetidine-i-carboxylate (1000.0 mg, 5.52 mmol) and 4-bromo- 3-fluorotoluene (1251.58 mg, 6.62 mmol, CAS RN 452-74-4) in dry THF (20 mL) were added Pd(PPh3)4 (530.63 mg, 0.460 mmol), Cul (87.83 mg, 0.460 mmol) and TEA (4644.2 mg, 46.0 mmol) at25 C. The mixture was purged with N2 for 1 mm and then stirred at 60 C under N2 atmosphere for 12h. The mixture was poured into saturated aq. NH4C1 solution (50 mL) and extracted three times with EtOAc (30 niL each). The combined organic layers were dried with anhydrous Na2SO4, filtered, the filtrate was concentrated under reduced pressure. The residue was purified by flash chromatography on silica gel (PE : EA = 20 : ito 10 : 1) to provide the desired compound as colorless oil (650 mg, 40.7%).1HNMR (400 MHz, CHLOROFORM-d)oe = 7.33 -7.28 (m, 1H), 6.94-6.85 (m, 2H), 4.26-4.19 (m,2H), 4.05 (dd, J=6.4, 8.1 Hz, 2H), 3.66 - 3.49 (m, 1H), 2.36 (s, 3H), 1.46 (s, 9H).
40.7%	With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine; In tetrahydrofuran; at 60℃; for 12h;Inert atmosphere;	To a solution of tert-butyl 3-ethynylazetidine-l-carboxylate (1000.0 mg, 5.52 mmol) and 4-bromo- 3-fluorotoluene (1251.58 mg, 6.62 mmol, CAS RN 452-74-4) in dry THF (20 mL) were added (1340) Pd(PPh3)4 (530.63 mg, 0.460 mmol), Cul (87.83 mg, 0.460 mmol) and TEA (4644.2 mg, 46.0 mmol) at 25 C. The mixture was purged with N2 for 1 min and then stirred at 60 C under N2 atmosphere for 12 h. The mixture was poured into saturated aq. NH4C1 solution (50 mL) and extracted three times with EtOAc (30 mL each). The combined organic layers were dried with anhydrous Na2S04, filtered, the filtrate was concentrated under reduced pressure. The residue was purified by flash chromatography on silica gel (PE : EA = 20 : 1 to 10 : 1) to provide the desired compound as colorless oil (650 mg, 40.7%). 1H NMR (400 MHz, CHLOROFORM-d) d = 7.33 - 7.28 (m, 1H), 6.94 - 6.85 (m, 2H), 4.26 - 4.19 (m, 2H), 4.05 (dd, J=6.4, 8.1 Hz, 2H), 3.66 - 3.49 (m, 1H), 2.36 (s, 3H), 1.46 (s, 9H).

Reference： [1]Patent: WO2020/35425,2020,A1 .Location in patent: Page/Page column 236
[2]Patent: WO2020/35424,2020,A1 .Location in patent: Page/Page column 244

2
[ 287193-01-5 ]
[ 261952-20-9 ]
tert-butyl 3-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethynyl]azetidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68.7%	With bis-triphenylphosphine-palladium(II) chloride; caesium carbonate In dimethyl sulfoxide at 25 - 110℃; for 12h; Inert atmosphere;	a Step a) tert-Butyl 3-[2-[4-methyl-2-(trijluoromethyl)phenyl]ethynylJazetidine-]-carboxylate To a solution of tert-butyl 3-ethynylazetidine-1-carboxylate (606.6 mg, 3.35 mmol) and 2-bromo-5- methylbemzotrifluoride (400.0 mg, 1.67 mmol) in dry DMSO (14.9 mL) at 25°C, was added Pd(PPh3)2C12 (117.46mg, 0.170 mmol) and Cs2CO3 (1091 mg, 3.35 mmol). The mixture was purged with N2 for 1 mm and then stirred at 110 °C under N2 atmosphere for 12 h. The reaction mixture was poured into H20 and extracted with EtOAc. The organic layer was evaporated and the residue was purified by silica gelcolumn chromatography (PE : EtOAc = 20: 1) to give the desired compound as a yellow oil (390 mg,68.7% yield). MS (ESI): m/z = 284.1 [M-56+H].
68.7%	With bis-triphenylphosphine-palladium(II) chloride; caesium carbonate In dimethyl sulfoxide at 110℃; for 12h; Inert atmosphere;	a Step a) tert-Butyl 3-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethynyl] azetidine-1 -carboxylate To a solution of tert-butyl 3-ethynylazetidine-l-carboxylate (606.6 mg, 3.35 mmol) and 2-bromo-5- methylbenzotri fluoride (400.0 mg, 1.67 mmol) in dry DMSO (14.9 mL) at 25°C, was added Pd(PPh3)2Ch (117.46 mg, 0.170 mmol) and CS2CO3 (1091 mg, 3.35 mmol). The mixture was purged with N2 for 1 min and then stirred at 110 °C under N2 atmosphere for 12 h. The reaction mixture was poured into H20 and extracted with EtOAc. The organic layer was evaporated and the residue was purified by silica gel column chromatography (PE : EtOAc = 20 : 1) to give the desired compound as a yellow oil (390 mg, 68.7% yield). MS (ESI): m/z = 284.1 [M-56+H]+.

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - WO2020/35425, 2020, A1 Location in patent: Page/Page column 239
[2]Current Patent Assignee: ROCHE HOLDING AG - WO2020/35424, 2020, A1 Location in patent: Page/Page column 247

3
[ 287193-01-5 ]
[ 26166-92-7 ]
tert-butyl 3-[2-[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-5-yl]ethynyl]azetidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
81.6%	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran; N,N-dimethyl-formamide Inert atmosphere;	1.2 tert-butyl3-[2-[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-5-yl]ethynyl]azetidine-1- carboxylate Weigh 5-bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione (for synthesis method see WO2009145899) (1.7 g, 5.04 mmol), use 15 mL Tetrahydrofuran and 3mL DMF were dissolved in a 100mL single-necked round bottom flask, and 3-ethynylazetidine-1-carboxylic acid tert-butyl ester (1a) (1.37g, 7.56mmol),Ditriphenylphosphine palladium dichloride (350mg, 0.504mmol), cuprous iodide (97mg, 0.504mmol) and triethylamine (2.55g, 25.21mmol) were heated to 75°C under a nitrogen atmosphere to react overnight. Concentrate under reduced pressure to remove tetrahydrofuran, add 20 mL of water to the residue, extract with ethyl acetate (25 mL x 2), combine the organic phases, wash with 30 mL of saturated brine, dry with anhydrous sodium sulfate, filter, and concentrate under reduced pressure to obtain a crude product, crude silica gel Purified by column chromatography to obtain 3-[2-[2-(2-(2,6-dioxo-3-piperidinyl)-1,3-dioxoisoindolin-5-yl]ethynyl ] Tert-butyl azetidine-1-carboxylate (1b), brown-yellow solid (1.8 g, yield: 81.6%).
62%	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 70℃; for 12h;	22.1 The first step: 3-[2-[2-(2,6-dioxo-3-piperidinyl)-1,3-dioxo-isoindolin-5-yl]ethynyl]aza Tert-Butyl Cyclobutane-1-carboxylate (22b) 3-ethynyl azetidine-1-carboxylic acid tert-butyl ester (22a) (see WO2014165075 for synthesis method)(0.32g, 1.77mmol) and 5-bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione (see WO2009145899 for synthesis method)(0.50g, 1.48mmol) was added to 5mL of tetrahydrofuran, and then 2mL of triethylamine was added,Pd(PPh3)2Cl2(0.1g, 0.15mmol) andCuI (0.05g, 0.26mmol), heated to 70 degrees and stirred for 12 hours.Cool to room temperature, filter, remove the solvent from the filtrate under reduced pressure, and separate and purify the residue by silica gel column chromatography (DCM/MeOH(v/v)=100/1-30/1),Get 3-[2-[2-(2,6-dioxo-3-piperidinyl)-1,3-dioxo-isoindolin-5-yl]ethynyl]azetidin- Tert-Butyl 1-carboxylate (22b) (0.4 g, yield: 62%).
62%	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 70℃; for 12h; Inert atmosphere;	1.1 The first step: 3-[2-[2-(2,6-dioxo-3-piperidinyl)-1,3-dioxo-isoindolin-5-yl]ethynyl]aza Tert-Butyl Cyclobutane-1-carboxylate (1b) The tert-butyl 3-ethynylazetidine-1-carboxylate (1a) (see WO2014165075 for the synthesis method) (0.32g, 1.77mmol)And 5-bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione (see WO2009145899 for synthesis method) (0.50g, 1.48mmol)Add to 5mL tetrahydrofuran,Then add 2mL triethylamine,Add Pd(PPh3)2Cl2(0.1g, 0.15mmol) and CuI(0.05g, 0.26mmol) in sequence under nitrogen protection,The temperature was raised to 70°C and stirred for 12 hours.Cool to room temperature, filter, remove the solvent from the filtrate under reduced pressure, and separate and purify the residue by silica gel column chromatography (DCM/MeOH(v/v)=100/1-30/1) to give 3-[2-[2-( 2,6-dioxo-3-piperidinyl)-1,3-dioxo-isoindolin-5-yl)ethynyl)azetidin-1-carboxylic acid tert-butyl ester (1b)( 0.4g, yield: 62%).

Reference： [1]Current Patent Assignee: HAISCO PHARMACEUTICAL GROUP CO., LTD. - CN113527260, 2021, A Location in patent: Paragraph 0281; 0284; 0290-0294
[2]Current Patent Assignee: HAISCO PHARMACEUTICAL GROUP CO., LTD. - CN112010858, 2020, A Location in patent: Paragraph 1062-1071
[3]Current Patent Assignee: HAISCO PHARMACEUTICAL GROUP CO., LTD. - CN112390785, 2021, A Location in patent: Paragraph 0321; 0324-0329

4
[ 287193-01-5 ]
[ 845866-82-2 ]
tert-butyl 3-((2-(difluoromethyl)phenyl)ethynyl)azetidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
27%	With [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II); copper (I) iodide; triethylamine In tetrahydrofuran at 70℃; Inert atmosphere;	1 Step 1: tert-Butyl 3-((2-(difluoromethyl)phenyl)ethynyl)azetidine-1-carboxylate To a solution of tert-butyl 3-ethynylazetidine-1-carboxylate (100 mg, 0.55 mmol, 1.0 equiv; CAS RN 287193-01-5) in THF (1.8 ml) were aded 1-bromo-2-(difluoromethyl)benzene (114 mg, 0.55 mmol, 1.0 equiv; CAS RN 845866-82-2) and TEA (558 mg, 0.77 mL, 5.52 mmol, 10.0 equiv) and the reaction mixture was degassed with Ar. Then, bis(triphenylphosphine)palladium(II) chloride (31 mg, 0.044 mmol, 0.08 equiv) was added followed by copper(I) iodide (2.1 mg, 11 µmol, 0.02 equiv) and the reaction mixture was heated under Ar to 70 °C overnight. The crude reaction product was purified by silica gel chromatography using a MPLC system eluting with a gradient of n-heptane : ethyl acetate (100 : 0 to 40 : 60) to yield the title compound as a yellow oil (45 mg, 27 %). MS (ESI): m/z = 252.2 [M+2H-tBu]+.

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - WO2022/49134, 2022, A1 Location in patent: Page/Page column 183

5
[ 287193-01-5 ]
[ 3066-75-9 ]
[ 73183-34-3 ]
C₁₉H₃₂BNO₄ [ No CAS ]
C₁₉H₃₂BNO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50%	With (1-(2,6-diisopropylphenyl)-3,3-diethyl-5,5-dimethylpyrrolidin-2-ylidene)copper(I) chloride; lithium tert-butylate In N,N-dimethyl acetamide at 20℃; for 16h; regioselective reaction;

Reference： [1]Bertrand, Guy; Engle, Keary M.; Faria Vieira, Andre; Gao, Yang; Grotjahn, Douglas B.; Jazzar, Rodolphe; Kendrick, Aaron; Kim, Nana; Liu, Mingyu; Mendoza, Skyler D.; Yazdani, Sima [ACS Catalysis, 2022, p. 7243 - 7247]

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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. 287193-01-5 ] {[proInfo.proName]}

Quality Control of [ 287193-01-5 ]

Related Doc. of [ 287193-01-5 ]

Product Details of [ 287193-01-5 ]

Calculated chemistry of [ 287193-01-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 287193-01-5 ]

Application In Synthesis of [ 287193-01-5 ]

[ 287193-01-5 ] Synthesis Path-Upstream 1~4

[ 287193-01-5 ] Synthesis Path-Downstream 1~5

Related Functional Groups of [ 287193-01-5 ]

Alkynes

Amides

Related Parent Nucleus of [ 287193-01-5 ]

Aliphatic Heterocycles

Azetidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 287193-01-5 ]

Related Parent Nucleus of
[ 287193-01-5 ]