[ CAS No. 664362-16-7 ] {[proInfo.proName]}

Name: 664362-16-7|1-Boc-3-Ethynylpiperidine|97%
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Quality Control of [ 664362-16-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 664362-16-7 ]

SDS Specification

Alternatived Products of [ 664362-16-7 ]

Product Details of [ 664362-16-7 ]

CAS No. :	664362-16-7	MDL No. :	MFCD10698159
Formula :	C₁₂H₁₉NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IJHRDEPFBAXIMW-UHFFFAOYSA-N
M.W :	209.28	Pubchem ID :	21963855
Synonyms :

Calculated chemistry of [ 664362-16-7 ] Expand+

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	64.37
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) :	-6.18 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.12
Log Po/w (XLOGP3) :	1.97
Log Po/w (WLOGP) :	1.97
Log Po/w (MLOGP) :	2.18
Log Po/w (SILICOS-IT) :	1.73
Consensus Log Po/w :	2.19

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.18
Solubility :	1.38 mg/ml ; 0.0066 mol/l
Class :	Soluble
Log S (Ali) :	-2.22
Solubility :	1.27 mg/ml ; 0.00608 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.36
Solubility :	9.07 mg/ml ; 0.0434 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.13

Safety of [ 664362-16-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 664362-16-7 ]

* 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 [ 664362-16-7 ]
Downstream synthetic route of [ 664362-16-7 ]

[ 664362-16-7 ] Synthesis Path-Upstream 1~4

1
[ 90965-06-3 ]
[ 118156-93-7 ]
[ 664362-16-7 ]

Yield	Reaction Conditions	Operation in experiment
86.1%	With potassium carbonate In methanol at 20℃; for 3 h;	Dimethyl 1-diazo-2-oxopropylphosphonate(96 mg, 1.0 mmol) in methanol (2 mL) was added dropwise to a stirred mixture oftert-butyl3-formylpiperidine-1-carboxylate (107 mg, 0.50 mmol) and potassiumcarbonate (138 mg, 2.0 mmol) in methanol (4 mL) at room temperature. The resulting mixture was stirred at roomtemperature for 3 hours. The reaction mixture was concentrated to a residue.The residue was dissolved in diethyl ether (10 mL) and washed with saturatedaqueous sodium bicarbonate solution (10 mL). The aqueous phase was extractedwith ether (10 mL x 2), and the combined organic solvent was dried over sodiumsulfate, filtered, and concentrate to a crude residue. The residue was purified by silica gelchromatography (12 g) eluting with ethyl acetate in petroleum ether from 0 to30percent over 20 minutes to afford tert-butyl 3-ethynylpiperidine-1-carboxylate (90mg, yield: 86.1percent) as a colorless oil. MS(M+Na)⁺ = 232.2
79%	With potassium carbonate In methanol at 20℃; for 3 h;	The product of Description 42 (2.3 g, 10.8 mmol), potassium carbonate (3.9 g, 28 mmol) and dimethyl (1-diazo-2-oxopropyl)phosphonate (5.2 g, 27 mmol) were combined in methanol (15 ml) and stirred at room temperature for 3 hours. The mixture was concentrated in vacuo and the residue partitioned between ethyl acetate and brine. The organic layer was dried (MgSO₄) and concentrated in vacuo. The residue was purified by flash column chromatography on silica, eluding with 2-5percent ethyl acetate/i-hexane, to give the title compound (1.77 g, 79percent). δ_H (400 MHz, CDCl₃): 3.89-3.78 (1H, m), 3.68-3.63 (1H, m), 2.95-2.90 (2H, m), 2.39-2.34 (1H, m), 1.99 (1H, d, J 2.3 Hz), 1.93-1.88 (1H, m), 1.66-1.61 (1H, m), 1.55-1.49 (1H, m), 1.39 (9H, s), 1.39-1.33 (1H, m).

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 8, p. 1993 - 1996
[2] Patent: US2004/229864, 2004, A1, . Location in patent: Page/Page column 11
[3] Patent: WO2014/139328, 2014, A1, . Location in patent: Page/Page column 352
[4] Patent: WO2018/109198, 2018, A1, . Location in patent: Page/Page column 35

2
[ 851882-50-3 ]
[ 664362-16-7 ]

Yield	Reaction Conditions	Operation in experiment
93%	With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1 h;	2 (B) 3-Ethynyl-piperidine-l-carboxylic acid tert-butyl ester To a solution of 3- (2, 2-Dibromo-vinyl)-piperidine-l-carboxylic acid tert-butyl ester (0.15 g, 0.42 mmol) in THF (1 ml) wad added at-78°C, 0.5 ml of n-BuLi 2.5 M in hexane (1.23 mmol). After lh at-78°C, the reaction mixture was quenched with 1 ml of water and the aqueous phase was extracted with AcOEt. The combined organic phase was dried over K2C03, filtered and evaporated to give 80 mg (93percent) of 3- Ethynyl-piperidine-1-carboxylic acid tert-butyl ester as a white solid.

Reference： [1] Patent: WO2005/44797, 2005, A1, . Location in patent: Page/Page column 54

3
[ 118156-93-7 ]
[ 27491-70-9 ]
[ 664362-16-7 ]

Yield	Reaction Conditions	Operation in experiment
100%	With potassium carbonate In methanol for 2.16667 h; Cooling with ice	Step 2. 1-BOC-3-ethynylpiperidine A solution of 1-BOC-3-formylpiperidine (1.46 g, 6.85 mmol) and (diazomethyl) phosphonic acid dimethyl ester (1.79 g, 11.94 mmol) in 50 mL methanol was stirred at ice-bath for 10 min, K₂CO₃ (1.96 g, 14.2 mmol) was added to the above mixture and stirred at ice-bath for 2 hrs, then stirred at rt overnight. The mixture was evaporated in vacuo, to the residue was added EtOAc and water, the organic layer was separated and water layer was extracted with EtOAc (100 mL*3). The combined organic layers were washed with water and brine successively, dried with Na₂SO₄, filtered, and the filtrate was evaporated in vacuo to give 1.44 g product as colorless oil (100.0percent). ¹H NMR (300 MHz, CDCl₃) δ: 3.90 (1H, brs), 3.70-3.75 (1H, m), 2.95-3.02 (2H, m), 2.40-2.47 (1H, m), 2.05 (1H, d, J=2.1 Hz), 1.94-1.99 (1H, m), 1.69-1.73 (1H, m), 1.50-1.63 (2H, m), 1.46 (9H, s).

Reference： [1] Patent: US2014/31354, 2014, A1, . Location in patent: Paragraph 0296; 0421; 0422

4
[ 664362-16-7 ]
[ 959918-19-5 ]

Yield	Reaction Conditions	Operation in experiment
86%	With hydrogenchloride In 1,4-dioxane at 20℃; for 16 h;	INTERMEDIATE 35 (METHOD V); 3-Ethynylpiperidine hydrochloride; To Intermediate 33 (1.50 g, 7.18 mmol) was added HCl (4iVm dioxane, 50 mL). The reaction mixture was stirred at r.t. for 16 h and concentrated in vacuo. Trituration with Et₂O gave the title compound (0.91 g, 86percent). δ_H (DMSOd₆) 9.02 (2H, br. s), 3.38- 3.24 (IH, m), 3.21-3.08 (2H, m), 2.94-2.76 (3H, m), 2.00-1.87 (IH, m), 1.83-1.73 (IH, m), 1.73-1.60 (IH, m), 1.60-1.48 (IH, m).

Reference： [1] Patent: WO2007/141504, 2007, A1, . Location in patent: Page/Page column 59
[2] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 8, p. 1993 - 1996

[ 664362-16-7 ] Synthesis Path-Downstream 1~5

1
[ 664362-16-7 ]
[ 959918-19-5 ]

Yield	Reaction Conditions	Operation in experiment
86%	With hydrogenchloride; In 1,4-dioxane; at 20.0℃; for 16.0h;	INTERMEDIATE 35 (METHOD V); 3-Ethynylpiperidine hydrochloride; To Intermediate 33 (1.50 g, 7.18 mmol) was added HCl (4iVm dioxane, 50 mL). The reaction mixture was stirred at r.t. for 16 h and concentrated in vacuo. Trituration with Et2O gave the title compound (0.91 g, 86%). deltaH (DMSOd6) 9.02 (2H, br. s), 3.38- 3.24 (IH, m), 3.21-3.08 (2H, m), 2.94-2.76 (3H, m), 2.00-1.87 (IH, m), 1.83-1.73 (IH, m), 1.73-1.60 (IH, m), 1.60-1.48 (IH, m).
	With hydrogenchloride; In dichloromethane; for 0.25h;	Hydrochloric acid (gas) (excess) wasbubbled through a mixture of tert-butyl 3-ethynylpiperidine-1-carboxylate (90mg, 0.43 mmol) in dichloromethane (5 mL) at 0oC for 15 minutes. Thesolvent was evaporated under reduced pressure to give the 3-ethynylpiperidinehydrochloride (50 mg, yield: 80%) as white solid which was used directlywithout further purification. MS (M+H)+ = 110.3

Reference： [1]Patent: WO2007/141504,2007,A1 .Location in patent: Page/Page column 59
[2]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 1993 - 1996

2
[ 664362-16-7 ]
[ 18087-73-5 ]
[ 1542265-60-0 ]

Yield	Reaction Conditions	Operation in experiment
60%	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 80℃; for 6h;Inert atmosphere;	Step 3. 1-BOC-3-(2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl)piperidine A solution of <strong>[18087-73-5]3-bromoimidazo[1,2-b]pyridazine</strong> (0.40 g, 2 mmol), 1-BOC-3-ethynylpiperidine (0.55 g, 2.6 mmol), Pd(PPh3)2Cl2 (70 mg, 0.1 mmol), CuI (29 mg, 0.15 mmol), and DIPEA (0.39 g, 3 mmol) in DMF (20 mL) was stirred at 80 C. under Are for 6 hrs. The mixture was poured into 100 mL water, extracted with EtOAc (60 mL*3), organic layer was washed with brine, dried with Na2SO4, filtered, and the filtrate was evaporated in vacuo. The crude product was purified by chromatography on silica gel (PE/EtOAc 7:3 to 3:2) to give 0.39 g product as yellow oil (60.0%). 1H NMR (300 MHz, CDCl3) delta: 8.50 (1H, d, J=4.2 Hz), 7.98-8.08 (2H, m), 7.13-7.17 (1H, dd, J=4.5 and 8.7 Hz), 4.09 (1H, brs), 3.76-3.82 (1H, m), 3.19 (1H, brs), 3.02-3.09 (1H, m), 2.81-2.88 (1H, m), 2.32 (1H, brs), 2.11-2.15 (1H, m), 1.67-1.81 (2H, m), 1.46 (9H, s). LCMS: m/z [M+H]+ 327.2112.

Reference： [1]Patent: US2014/31354,2014,A1 .Location in patent: Paragraph 0296; 0425; 0426

3
[ 664362-16-7 ]
[ 868733-96-4 ]
tert-butyl 3-((2-((tert-butoxycarbonyl)amino)-4-chloropyridin-3-yl)ethynyl)piperidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 20℃; for 12h;	To a degassed solution of product of Example 1A (2.033 g, 5.73 mmol) in tetrahydrofuran (15 mL) was added copper (I) iodide (46 mg, 0.239 mmol) and bis(triphenylphosphine)palladium(II) chloride (168 mg, 0.239 mmol) followed by triethylamine (1.998 mL, 14.33 mmol) and Example ID (1 g, 4.78 mmol). The mixture was stirred for 12 hours at room temperature, filtered through diatomaceous earth, and washed with ethyl acetate. The combined organic layers were washed with water and brine (50 mL each) and were dried over sodium sulfate. Concentration afforded crude product which was purified by column chromatography (silica gel, 15% ethyl acetate in hexane) to afford the title compound. LCMS: 436.2 (M+H)

Reference： [1]Patent: WO2014/139328,2014,A1 .Location in patent: Page/Page column 352; 353

4
[ 39856-58-1 ]
[ 664362-16-7 ]
C₁₇H₂₃N₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.36 g	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 100℃; for 1h;Inert atmosphere;	A solution of intermediate 2 (1.8 g, 8.6 mmol), <strong>[39856-58-1]3-amino-2-bromopyridine</strong> (1.19 g, 6.88 mmol), copper (I) iodide (181 mg, 0.258 mmol) and PdCl2(PPh3)2 (49 mg, 0.258 mmol) in DMF (10 mL) was purged by bubbling nitrogen and treated with triethylamine (3.59 mL, 25.8 mmol). The mixture was stirred at 100 C for 1 h. Then it was cooled to rt and poured in EtOAc. The organic layer was separated, washed with water, brine, dried (Na2S04), filtered and the filtrate concentrated in vacuo. The resultant dark yellow oil was purified by flash column chromatography (silica, EtOAc in heptane 0/100 to 80/20) and the desired fractions were concentrated in vacuo to yield intermediate 3 as a yellow solid (1.36 g, 66% yield).

Reference： [1]Patent: WO2018/109198,2018,A1 .Location in patent: Page/Page column 36

5
[ 664362-16-7 ]
[ 239137-39-4 ]
C₁₇H₂₃N₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70 mg	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 100℃; for 1h;Inert atmosphere;	A solution of intermediate 2 (227 mg, 1.08 mmol), <strong>[239137-39-4]3-amino-4-bromopyridine</strong> (150 mg, 0.867 mmol), copper (I) iodide (6.19 mg, 0.0325 mmol) and PdCl2(PPh3)2 (22.8 mg, 0.0325 mmol) in DMF (2.12 mL) was degassed with a stream of N2 and triethylamine (0.452 mL, 3.25 mmol) was added at rt. The reaction mixture was heated and stirred at 100 C for 1 h. The mixture was cooled to rt and poured in EtOAc. The organic layer was separated and washed with water and brine, dried over Na2S04, filtered and the volatiles were evaporated in vacuo. The resultant dark yellow oil was purified by flash chromatography (silica; MeOH in DCM, 0/100 to 5/95). The desired fractions were concentrated in vacuo to yield intermediate 9 as yellow solid (70 mg, 27% yield).

Reference： [1]Patent: WO2018/109198,2018,A1 .Location in patent: Page/Page column 38

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Technical Information

• Acyl Group Substitution • Addition of a Hydrogen Halide to an Internal Alkyne • Addition of Hydrogen Halides Forms Geminal Dihaloalkanes • Alcohols Convert Acyl Chlorides into Esters • Alcoholysis of Anhydrides • Aldehydes May Made by Terminal Alkynes Though Hydroboration-oxidation • Alkene Hydration • Alkylation of an Alkynyl Anion • Allylic Deprotonation • Amide Hydrolysis • Amide Hydrolysis • Amides Can Be Converted into Aldehydes • Amines Convert Acyl Chlorides into Amides • Amines Convert Esters into Amides • Bouveault-Blanc Reduction • Cadiot-Chodkiewicz Coupling • Catalytic Hydrogenation • Chan-Lam Coupling Reaction • Claisen Condensations Produce β-Dicarbonyl Compounds • Claisen Condensations Produce β-Dicarbonyl Compounds • Complete Hydrogenation of Alkynes • Complex Metal Hydride Reductions • Convert Esters into Aldehydes Using a Milder Reducing Agent • Decarboxylation of 3-Ketoacids Yields Ketones • Deprotection of Cbz-Amino Acids • Deprotonation of a Terminal Alkyne • Deprotonation of a Terminal Alkyne • Dissolving-Metal Reduction of an Alkyne • Double Halogenation of an Alkyne • Ester Cleavage • Ester Hydrolysis • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Grignard Reagents Transform Esters into Alcohols • Haloalcohol Formation from an Alkene Through Electrophilic Addition • Halogenation-double Dehydrohalogenation • Hantzsch Pyridine Synthesis • Hofmann Rearrangement • Hydride Reductions • Hydroboration of a Terminal Alkyne • Hydroboration-Oxidation • Hydrogenation with Lindlar Catalyst • Hydrogenation with Lindlar Catalyst • Ketones Undergo Mixed Claisen Reactions to Form β-Dicarbonyl Compounds • Lawesson's Reagent • Mercury Ions Catalyze Alkynes to Ketones • Osmium TetroxideReacts with Alkenes to Give Vicinal Diols • Oxymercuration-Demercuration • Preparation of Amines • Prins Reaction • Radical Addition of HBr to Terminal Alkynes • Radical Addition of HBr to Terminal Alkynes • Reactions of Alkynes • Reactions of Amines • Reactions with Organometallic Reagents • Reduction of an Amide to an Amine • Reduction of an Amide to an Amine • Reduction of an Ester to an Alcohol • Reduction of an Ester to an Aldehyde • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Synthesis of Alcohols from Tertiary Ethers • The Cycloaddition of Dienes to Alkenes Gives Cyclohexenes • The Heck Reaction • The Reaction of Alkynyl Anions with Carbonyl Derivatives • The Reaction of Alkynyl Anions with Oxacyclopropanes • Transesterification

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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
{[ item.p_purity ]}	{[ item.pr_size ]}	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}

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. 664362-16-7 ] {[proInfo.proName]}

Quality Control of [ 664362-16-7 ]

Related Doc. of [ 664362-16-7 ]

Product Details of [ 664362-16-7 ]

Calculated chemistry of [ 664362-16-7 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 664362-16-7 ]

Application In Synthesis of [ 664362-16-7 ]

[ 664362-16-7 ] Synthesis Path-Upstream 1~4

[ 664362-16-7 ] Synthesis Path-Downstream 1~5

Technical Information

Related Functional Groups of [ 664362-16-7 ]

Alkynes

Amides

Related Parent Nucleus of [ 664362-16-7 ]

Aliphatic Heterocycles

Piperidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 664362-16-7 ]

Related Parent Nucleus of
[ 664362-16-7 ]