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Quality Control of [ 6457-49-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 6457-49-4 ]

Product Citations

SAR study of piperidine derivatives as inhibitors of 1,4-dihydroxy-2-naph- thoate isoprenyltransferase (MenA) from Mycobacterium tuberculosis

Berg, Kaja ; Hegde, Pooja ; Pujari, Venugopal , et al. Eur. J. Med. Chem.,2023,249,115125. DOI: 10.1016/j.ejmech.2023.115125 PubMed ID: 36682292

Abstract: The electron transport chain (ETC) in the cell membrane consists of a series of redox complexes that transfer electrons from electron donors to acceptors and couples this electron transfer with the transfer of protons (H+) across a membrane. This process generates proton motive force which is used to produce ATP and a myriad of other functions and is essential for the long-term survival of Mycobacterium tuberculosis (Mtb), the causative organism of tuberculosis (TB), under the hypoxic conditions present within infected granulomas. Menaquinone (MK), an important carrier molecule within the mycobacterial ETC, is synthesized de novo by a cluster of enzymes known as the classic/canonical MK biosynthetic pathway. MenA (1,4-dihydroxy-2-naphthoate prenyltransferase), the antepenultimate enzyme in this pathway, is a verified target for TB therapy. In this study, we explored structure-activity relationships of a previously discovered MenA inhibitor scaffold, seeking to improve potency and drug disposition properties. Focusing our campaign upon three molecular regions, we identified two novel inhibitors with potent activity against MenA and Mtb (IC50 = 13-22 μM, GIC50 = 8-10 μM). These analogs also displayed substantially improved pharmacokinetic parameters and potent synergy with other ETC-targeting agents, achieving nearly complete sterilization of Mtb in combination therapy within two weeks in vivo. These new inhibitors of MK biosynthesis present a promising new strategy to curb the continued spread of TB.

Keywords: 1,4-dihydroxy-2-naphthoate prenyltransferase ; MenA ; MenA inhibitors ; Menaquinone ; Mtb ; Mycobacterium tuberculosis ; Piperidine derivatives ; SAR

Purchased from AmBeed: 25952-53-8 ; 90719-32-7 ; 872-85-5 ; 6457-49-4 ; 3769-41-3 ; 10338-57-5 ; 135-19-3 ; 135-19-3 ; 28177-48-2 ; 22246-18-0 ; 122334-37-6 ; 91914-06-6 ; 10040-98-9 ; 161975-39-9 ; 150-76-5 ; 371-41-5 ; 63754-96-1 ; 288-32-4 ; 3380-34-5 ; 1677-46-9 ; 166815-96-9 ; 700-57-2 ; 1204-86-0 ; 21725-69-9 ; 367-12-4 ; 1003-29-8 ; 627-35-0 ; 27292-49-5 ; 104324-16-5 ; 123855-51-6 ; 4328-13-6 ; 875401-70-0 ; 405272-71-1 ; 63614-86-8 ; 1420942-13-7 ; 25952-53-8 ; 1420895-21-1 ; 1078-18-8 ; 32363-45-4 ; 69564-68-7 ; 31519-22-9 ; 22246-18-0 ; 189618-33-5 ; 180847-24-9 ; 6264-98-8 ; 946680-75-7 ; 63608-38-8 ; 713-68-8 ; 62810-39-3 ; 189618-32-4 ; 180847-23-8 ; 63608-31-1 ; 15789-05-6 ; 63712-27-6 ; 63608-33-3 ; 63608-35-5 ...More

Product Details of [ 6457-49-4 ]

CAS No. :	6457-49-4	MDL No. :	MFCD00174228
Formula :	C₆H₁₃NO	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	XBXHCBLBYQEYTI-UHFFFAOYSA-N
M.W :	115.17	Pubchem ID :	420771
Synonyms :

Calculated chemistry of [ 6457-49-4 ] Expand+

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	36.72
TPSA :	32.26 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) :	-7.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.62
Log Po/w (XLOGP3) :	-0.14
Log Po/w (WLOGP) :	-0.4
Log Po/w (MLOGP) :	0.21
Log Po/w (SILICOS-IT) :	0.96
Consensus Log Po/w :	0.45

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.4
Solubility :	45.9 mg/ml ; 0.398 mol/l
Class :	Very soluble
Log S (Ali) :	-0.08
Solubility :	95.1 mg/ml ; 0.825 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.86
Solubility :	15.8 mg/ml ; 0.137 mol/l
Class :	Soluble

Medicinal Chemistry

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

Safety of [ 6457-49-4 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	3263
Hazard Statements:	H314	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 6457-49-4 ]

* 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.

Downstream synthetic route of [ 6457-49-4 ]

[ 6457-49-4 ] Synthesis Path-Downstream 1~10

1
[ 4606-65-9 ]
[ 6457-49-4 ]
[ 103-76-4 ]
[ 50-00-0 ]
[ 63006-93-9 ]
[ 68832-13-3 ]
[ 18881-17-9 ]
[ 1107174-37-7 ]
[ 1106671-44-6 ]
[ 1106671-06-0 ]
C₂₀H₂₁BrN₂O₃ [ No CAS ]
C₂₃H₂₁NO₃S₂ [ No CAS ]
[ 1106671-83-3 ]
[ 1106671-48-0 ]
C₂₂H₂₁N₃O₃S [ No CAS ]
C₂₅H₂₀N₂O₃S [ No CAS ]
C₂₇H₂₃NO₄S [ No CAS ]
C₂₇H₂₄N₂O₃S [ No CAS ]
C₂₆H₂₃N₃O₃S [ No CAS ]
C₂₈H₂₆N₂O₄S [ No CAS ]
[ 135980-88-0 ]
[ 124-40-3 ]
[ 74-89-5 ]
[ 23356-96-9 ]
[ 498-63-5 ]
[ 958451-07-5 ]
[ 958449-79-1 ]
[ 958451-09-7 ]
[ 958450-34-5 ]
[ 958451-15-5 ]
[ 958450-40-3 ]
[ 958450-35-6 ]
[ 958450-41-4 ]
[ 958451-11-1 ]
[ 958449-81-5 ]
[ 958449-68-8 ]
[ 958449-67-7 ]
[ 958449-66-6 ]
[ 958450-36-7 ]
[ 958450-37-8 ]
[ 958450-39-0 ]
[ 958449-76-8 ]
[ 958449-77-9 ]
[ 958449-71-3 ]
[ 958449-78-0 ]
[ 958450-38-9 ]
[ 958449-69-9 ]
[ 958449-75-7 ]
[ 958449-70-2 ]
[ 958449-80-4 ]

Yield	Reaction Conditions	Operation in experiment
	In 1,4-dioxane; at 70 - 80℃; for 12 - 48h;Combinatorial reaction / High throughput screening (HTS);	Example 1. Preparation of a combinatorial library of substituted 2-aminomethyl-5-hydroxy-1H-indole-3-carboxylic acids esters of general formula 1.1. A mixture of 0.357 mmol of ester 2, 0.43 mmol of a secondary amine 3, and 0.43 mmol of formaldehyde in the form of formalin in 3 ml of dioxane is heated at 70-80°C at stirring for 12 to 48 hours. Progress of the reaction is monitored by chromato-mass-spectrometry. Upon completion of the reaction, the reaction mass is diluted with water, the residue is filtered and recrystallized from a suitable solvent, or purified by chromatography.

Reference： [1]Patent: EP2036889,2009,A2 .Location in patent: Page/Page column 19

2
[ 6457-49-4 ]
[ 4521-22-6 ]
C₁₇H₂₅NO₂ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 5043 - 5047

3
[ 6457-49-4 ]
[ 67515-59-7 ]
[ 1260786-32-0 ]

Yield	Reaction Conditions	Operation in experiment
3.59 g	With potassium carbonate; In dimethyl sulfoxide; at 100℃; for 4h;	To a solution of piperidin-4-ylmethanol (2.19 g) in DMSO (40 mL) were added 4-fluoro-3- (trifluoromethyl) benzonitrile (3.00 g) and potassium carbonate (3.21 g) . The reactionmixture was stirred at 100C for 4 hr, water was added, and the mixture was extracted with ethyl acetate. The extract was washed with water and saturated brine, and dried overanhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate/hexane) to give the title compound (3.59 g) .XH NMR (300 MHz, DMSO-d6) delta 1.20-1.36 (2H, m) , 1.44-1.61 (1H, m) , 1.68-1.81 (2H, m) , 2.74-2.87 (2H, m) , 3.14-3.24 (2H, m) , 3.28-3.33 (2H, m) , 4.51 (1H, t, J = 5.3 Hz), 7.52 (1H, d, J = 8.5 Hz), 8.03 (1H, dd, J = 8.6, 2.0 Hz), 8.13 (1H, d, J = 1.9 Hz) .MS (ESI+) : [M+H]+.285.1.

Reference： [1]Patent: WO2013/18929,2013,A1 .Location in patent: Paragraph 0525

4
[ 6457-49-4 ]
[ 10241-97-1 ]
[ 1449664-31-6 ]

Yield	Reaction Conditions	Operation in experiment
73%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; at 20℃;	General procedure: To a solution of <strong>[10241-97-1]5-methyl-1H-indole-2-carboxylic acid</strong> (20) (263mg, 1.50mmol) in THF (7mL) were added 2-(piperidin-4-yl)ethanol (213mg, 1.65mmol), 1-hydroxybenzotriazole (HOBt, 101mg, 0.750mmol), and 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDAC) hydrochloride (316mg, 1.65mmol), followed by stirring at room temperature for 14h. The reaction mixture was partitioned between ethyl acetate and 0.5M aqueous hydrochloric acid. The organic layer was washed with saturated aqueous sodium hydrogen carbonate solution and saturated aqueous sodium chloride solution, dried over anhydrous sodium sulfate, and then concentrated in vacuo. The residue was recrystallized from ethyl acetate/acetonitrile (5mL/2mL) to give 3 (365mg, 85.0percent) as a beige powder.

Reference： [1]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 5261 - 5270

5
[ 6457-49-4 ]
[ 1199-49-1 ]
[ 1032823-75-8 ]

Reference： [1]Organic Process Research and Development,2016,vol. 20,p. 1469 - 1475

6
[ 6457-49-4 ]
[ 22744-12-3 ]
methyl 4-(2-(4-formylpiperidin-1-yl)-2-oxoethyl)benzoate [ No CAS ]

Reference： [1]Patent: WO2017/195216,2017,A1

7
[ 6457-49-4 ]
[ 22744-12-3 ]
methyl 4-(2-(4-(hydroxymethyl)piperidin-1-yl)-2-oxoethyl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%		To a stirred solution of <strong>[22744-12-3]2-(4-(methoxycarbonyl)phenyl)acetic acid</strong> (1 g, 5.15mmol)and piperidin-4-ylmethanol (0.65 g, 5.67 mmol), in dichloromethane(25 mL) was added triethylamine (1..07 mL, 7.72mmol),the reaction was stirred at room temperature for lOmin, then cooled reaction mixture to 0C and added T3P (4.91 mL,7.72 mmol), and the resulting mixture was stirred at room temperature for 3 h.Reaction was monitored by TLC, after completion of reaction,the mixture was quenched with ice. The reaction mixture was diluted with water and extracted with dichloromethane (3x25 mL). The organic portion was washed with water, brine, dried over sodium sulphate and concentrated under reduced pressure to get the tiltle product as gummy solid. (XVI, 1.2 g, 80%). LC-MS m/z calcd for Ci6H2iN04, 291.1 ; found 292.1 [M+H]+.

Reference： [1]Patent: WO2017/195216,2017,A1 .Location in patent: Page/Page column 134-135

8
[ 6457-49-4 ]
[ 58656-98-7 ]
tert-butyl 4-(4-(hydroxymethyl)piperidin-1-yl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In dimethyl sulfoxide; at 120℃;Inert atmosphere;	To a solution of <strong>[58656-98-7]ter<strong>[58656-98-7]t-butyl 4-fluorobenzoate</strong></strong> (23 g,0.12 mmol) in DM50 (100 mE) was added piperidin-4- ylmethanol (40.5 g, 0.35 mmol). The mixture was heated to 120 C. overnight under nitrogen. After cooling to room temperature, water (50 mE) was added to the reaction mixture, and extracted with ethyl acetate (20 mEx3). The organic layer was washed with brine (15 mEx3). The combined organic phases were dried over anhydrous sodium sulfate and concentrated in vacuo, and purified by CC (PEEA=10: 1) to give compound tert-butyl 4-(4-(hydroxym- ethyl)piperidin-1 -yl)benzoate (31 g, 91.2%) as a white solid. ECMS (Agilent ECMS 1200-6120, Column:Waters X-l3ridge C18 (50 mmx4.6 mmx3.5 jim); Column Temperature: 40 C.; Flow Rate: 2.0 mE/mm; Mobile Phase:from 90% [(total 10mM AcONH4) waterCH3CN=900100 (vv)] and 10% [(total 10 mM AcONH4) water CH3CN=100900 (vv)] to 10% [(total 10 mM AcONH4) waterCH3CN=900100 (vv)] and 90% [(total 10 mM AcONH4) waterCH3CN=100900 (vv)] in 1.6 mm, then under this condition for 2.4 mm, finally changed to 90% [(total 10 mM AcONH4) waterCH3CN=900100 (vv)] and 10% [(total 10 mMAcONH4) waterCH3CN=100900 (vv)] in 0.1 mm and under this condition for 0.7 mm). Purity is 99.57%, Rt=2.035 mm.; MS Calcd.: 291.2; MS Found:292.2 [M+H]+. HPEC (Agilent HPEC 1200, Colunm: Waters X-l3ridge C18 (150 mmx4.6 mmx3.5 jim); Column Temperature: 40 C.; Flow Rate: 1.0 mE/mm; Mobile Phase:from 95% [water+10 mM NH4HCO3] and 5% [CH3CN] to 0% [water+10 mM NH4HCO3] and 100% [CH3CN] in 10 mm, then under this condition for 5 mi finally changed to 95% [water+10 mM NH4HCO3] and 5% [CH3CN] in 0.1mm and under this condition for 5 mi. Purity is 93 .27%,Rt=9.542 mm. ?H NMR (400 MHz, CDC13) oe 1.29-1.40 (2H, m),1.49 (1H, d, J=5.4 Hz), 1.57 (9H, s), 1.70-1.75 (1H, m), 1.82(2H, d, J=12.8 Hz), 2.80-2.87 (2H, m), 3.53 (2H, t, J=5.8Hz), 3.87-3.90 (2H, m), 6.85 (2H, d, J=9.2 Hz), 7.84 (2H, d,J=9.2 Hz). Chemical Formula: C,7H25N03, MolecularWeight: 291.39. Total H count from HNMR data: 25.

Reference： [1]Patent: US2018/215731,2018,A1 .Location in patent: Paragraph 1030; 1031; 1032; 1033; 1034; 1035; 1036

9
[ 6457-49-4 ]
[ 13790-39-1 ]
(1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl)methanol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
81%	With potassium carbonate; In acetonitrile; at 80℃; for 16h;	To a stirred solution of <strong>[13790-39-1]4-chloro-6,7-dimethoxyquinazoline</strong> (1.00 g, 4.452 mmol, 1.00 equiv) in acetonitrile (40 mL) were added (piperidin-4-yl)methanol (0.77 g, 6.677 mmol, 1.50 equiv) and potassium carbonate (1.23 g, 8.903 mmol, 2.00 equiv). After stirring at 80C for 16 h, the reaction mixture was concentrated under vacuum to remove the solvent. The residue was diluted with water and extracted with ethyl acetate. The combined organic layers were washed with saturated sodium chloride solution, dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (DCM/MeOH (20:1)) to afford 1.10 g (81%) of (l-(6,7-dimethoxyquinazolin-4- yl)piperidin-4-yl)m ethanol as an off-white solid.

Reference： [1]Patent: WO2020/140001,2020,A1 .Location in patent: Paragraph 0161

10
[ 6457-49-4 ]
[ 1340506-55-9 ]
C₁₅H₂₃N₃O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%	With tetra-(n-butyl)ammonium iodide; potassium carbonate; In 1,4-dioxane; at 100.0℃; for 1.0h;	Combine <strong>[1340506-55-9]tert-butyl 6-chloropyridazine-3-carboxylate</strong> (7b) (0.5g, 2.0mmol), 4-hydroxymethylpiperidine (0.3g, 2.0mmol),Potassium carbonate (0.6g, 6mmol) and tetrabutylammonium iodide (0.08g, 0.2mmol) were added to 10mL 1,4-dioxane,Heat to 100 degrees. After stirring for 1 h, it was cooled to room temperature, the solvent was removed under reduced pressure, and 20 mL DCM and 20 mL water were added for extraction.After the organic layer was concentrated under reduced pressure, the residue was slurried with 30 mL of a mixed solution of dichloromethane/petroleum ether (v/v) = 1/2 for 20 minutes,After filtration, tert-butyl 6-[4-(hydroxymethyl)-1-piperidinyl]pyridazine-3-carboxylate (7c) (0.5 g, yield: 70%) was obtained.

Reference： [1]Patent: CN112010858,2020,A .Location in patent: Paragraph 0568-0572; 0578-0582

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Technical Information

• Appel Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chugaev Reaction • Corey-Kim Oxidation • Dess-Martin Oxidation • Hydride Reductions • Jones Oxidation • Martin's Sulfurane Dehydrating Reagent • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Preparation of Alcohols • Preparation of Amines • Reactions of Alcohols • Reactions with Organometallic Reagents • Ritter Reaction • Sharpless Olefin Synthesis • Swern Oxidation

Historical Records

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[ 6457-49-4 ]

Alcohols

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[ 6457-49-4 ]

Piperidines

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4-(4-Piperidyl)-1-butanol

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
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

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. 6457-49-4 ] {[proInfo.proName]}

Quality Control of [ 6457-49-4 ]

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Product Citations

Product Details of [ 6457-49-4 ]

Calculated chemistry of [ 6457-49-4 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 6457-49-4 ]

Application In Synthesis of [ 6457-49-4 ]

[ 6457-49-4 ] Synthesis Path-Downstream 1~10

Technical Information

Related Functional Groups of [ 6457-49-4 ]

Alcohols

Related Parent Nucleus of [ 6457-49-4 ]

Piperidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

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Inquiry

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[ 6457-49-4 ]

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[ 6457-49-4 ]