[ CAS No. 4045-29-8 ] {[proInfo.proName]}

Name: 4045-29-8|3-Methoxypiperidine|98%
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Quality Control of [ 4045-29-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 4045-29-8 ]

CAS No. :	4045-29-8	MDL No. :	MFCD05022463
Formula :	C₆H₁₃NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	115.17	Pubchem ID :	-
Synonyms :

Calculated chemistry of [ 4045-29-8 ]

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 :	1.0
Molar Refractivity :	36.64
TPSA :	21.26 Å²

Pharmacokinetics

GI absorption :	Low
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) :	-6.86 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.93
Log Po/w (XLOGP3) :	0.2
Log Po/w (WLOGP) :	0.0
Log Po/w (MLOGP) :	0.21
Log Po/w (SILICOS-IT) :	1.1
Consensus Log Po/w :	0.69

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.61
Solubility :	28.0 mg/ml ; 0.243 mol/l
Class :	Very soluble
Log S (Ali) :	-0.21
Solubility :	71.8 mg/ml ; 0.623 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.16
Solubility :	7.95 mg/ml ; 0.069 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.71

Safety of [ 4045-29-8 ]

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 [ 4045-29-8 ]

* 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 [ 4045-29-8 ]
Downstream synthetic route of [ 4045-29-8 ]

[ 4045-29-8 ] Synthesis Path-Upstream 1~1

1
[ 7295-76-3 ]
[ 4045-29-8 ]

Reference： [1] Bulletin de la Societe Chimique de France, 1947, p. 341 344

[ 4045-29-8 ] Synthesis Path-Downstream 1~23

1
[ 7295-76-3 ]
[ 4045-29-8 ]

Reference： [1]Bulletin de la Societe Chimique de France,1947,p. 341 344
[2]Chemical Science,2019,vol. 10,p. 2193 - 2198

2
[ 4045-29-8 ]
[ 89122-62-3 ]
3-Methoxy-1-{4-[2-((E)-styryl)-phenoxy]-butyl}-piperidine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1984,vol. 27,p. 645 - 649

3
[ 4045-29-8 ]
[ 89122-82-7 ]
1-(4-{2-[(E)-2-(4-Fluoro-phenyl)-vinyl]-phenoxy}-butyl)-3-methoxy-piperidine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1984,vol. 27,p. 645 - 649

5
(+-)-3-methoxy-1-phenyl-piperidine [ No CAS ]
[ 4045-29-8 ]

Reference： [1]Bulletin de la Societe Chimique de France,1947,p. 341 344

6
[ 4045-29-8 ]
[ 909032-38-8 ]
<i>N</i>-{4-[4-(3-methoxy-piperidine-1-carbonyl)-oxazol-2-yl]-benzyl}-2-phenyl-acetamide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 4554 - 4558

7
[ 4045-29-8 ]
[ 1214284-59-9 ]
C₃₇H₅₃N₅O₇ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1388 - 1394

8
[ 4045-29-8 ]
[ 1251582-87-2 ]
[ 76-05-1 ]
C₂HF₃O₂*C₃₃H₃₄N₄O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
4%		A solution of 48b (52.5 mg, 0.093 mmol) in DMF (1 mL) is treated with iPr2NEt (0.1 mL, 0.56 mmol) followed by HATU (44.0 mg, 0.12 mmol) and the solution allowed to stir for 5 min. To this solution is then added <strong>[4045-29-8]3-methoxypiperidine</strong> (115.0 mg, 1.00 mmol) and the solution is stirred for another hour. The mixture is treated with HOAc (0.2 mL), filtered and purified by prep HPLC to obtain the TFA salt of 2297 (2.4 mg, 4%).

Reference： [1]Patent: US2010/261714,2010,A1 .Location in patent: Page/Page column 72

9
[ 4045-29-8 ]
[ 1265909-23-6 ]
[ 1265909-35-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 592 - 598

10
[ 4045-29-8 ]
[ 1227934-69-1 ]
[ 1227934-71-5 ]
[ 1227934-94-2 ]

Yield	Reaction Conditions	Operation in experiment
		2-(3-methoxypiperidin-1-yl)-4-trifluoromethyloxazole-5-carboxylic Acid (A-27) Intermediate A-27 was prepared by the general procedure for intermediate A-4, by using A-2 and 3-methoxypiperidine as starting materials. MS (M+1): 295.

Reference： [1]Patent: US2011/224137,2011,A1

11
[ 4045-29-8 ]
[ 1222997-44-5 ]
[ 1350900-49-0 ]

Reference： [1]ACS Medicinal Chemistry Letters,2012,vol. 3,p. 198 - 202

12
[ 4045-29-8 ]
[ 204919-75-5 ]
[ 1443118-51-1 ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 5208 - 5212

13
[ 4045-29-8 ]
N-(3-(2-chloroethoxy)phenyl)-4,6-bis(4-chlorophenyl)pyrimidin-2-amine [ No CAS ]
4,6-bis(4-chlorophenyl)-N-(3-(2-(3-methoxypiperidin-1-yl)ethoxy)phenyl)pyrimidin-2-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
45%	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide;Heating; Inert atmosphere;	General procedure: To a solution of chloroethoxybenzene 11 in DMF (0.03 M) were added 5 equiv of K2CO3, 1.2 equiv of KI, and 5 equiv of secondary amine at ambient temperature. The reaction mixture was stirred at 100 C until no starting material was observed by TLC, cooled to room temperature, and diluted with EtOAc. The organic phase was washed with water and brine, dried over MgSO4, and concentrated in vacuo. Purification of the residue via flash column chromatography on silica gel afforded the titled analog. 4.2.22 4,6-Bis(4-chlorophenyl)-N-(3-(2-(3-methoxypiperidin-1-yl)ethoxy)phenyl)pyrimi-din-2-amine (12h) General procedure IV; 45% yield; 1H NMR (300 MHz, CD3OD) delta 8.06 (d, 4H, J = 8.6 Hz), 7.63 (t, 1H, J = 2.2 Hz), 7.49-7.46 (m, 5H), 7.28-7.21 (m. 2H), 7.16-7.13 (m, 1H), 6.61 (dd, 1H, J = 1.5, 7.1 Hz), 4.16 (t, 2H, J = 6.0 Hz), 3.34-3.29 (m, 4H), 3.01-3.00 (m, 1H), 2.85 (t, 2H, J = 5.6 Hz), 2.74-2.70 (m, 1H), 2.28-2.17 (m, 2H), 1.89-1.21 (m, 4H); 13C NMR (100 MHz, CDCl3) delta 164.8, 164.8, 160.4, 159.4, 140.9, 137.0, 137.0, 135.9, 135.9, 129.6, 129.1, 129.1, 129.1, 129.1, 128.5, 128.5, 128.5, 128.5, 111.5, 108.9, 105.4, 104.1, 76.0, 66.0, 58.4, 57.5, 56.1, 54.0, 29.5, 23.0; LRMS (FAB) m/z 549 (M+H+); HRMS (FAB) calcd for C30H31Cl2N4O2 (M+H+): 549.1819; found 549.1824.

Reference： [1]Bioorganic and Medicinal Chemistry,2015,vol. 23,p. 579 - 587

14
[ 4045-29-8 ]
[ 1527475-89-3 ]
[ 1527473-60-4 ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 419 - 432

15
[ 4045-29-8 ]
C₁₇H₁₈FN₃ [ No CAS ]
C₂₃H₃₀N₄O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; at 160℃; for 5h;Microwave irradiation;	A mixture of 6-2 (100 mg, 0.35 mmol), 6-3 (406 mg, 3.53 mmol) and pyridine (3 mL) is heated to 160 C for 5 h in a Biotage microwave reactor. The resulting solution is concentrated. The crude is purified by reverse phase prep HPLC eluting with 10-100 % CH3CN in water (+0.1% TFA). The concentrated solid was basified by PL-HC03 MP column to yield 6-4.

Reference： [1]Patent: WO2015/17335,2015,A1 .Location in patent: Page/Page column 55

16
[ 4045-29-8 ]
7-(benzenesulfonyl)-4-chloro-5H-pyrrolo[3,2-d]pyrimidin-6-amine [ No CAS ]
7-(benzenesulfonyl)-4-(3-methoxypiperidin-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-6-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In ethanol; at 150℃; for 1h;Microwave irradiation;	Example los: 7-O3enzenesulfonyl)-4-(3-methoxypipend]n-1-yl)-51J- pyrrolo[3,2-d]pyrimidin-6-amine To a stirred solution of 7-(benzenesulfonyl)-4-chloro-5H-pyrrolo[3,2-d]pyrimidin-6- amine (Intermediate 3; 200 mg, 648 pmol) and triethylamine (328 mg, 3.24 mmol) was added <strong>[4045-29-8]3-methoxypiperidine</strong> (CM 4045-29-8; 224 mg, 1.94 mmol) in EtOH ( mL) and the reaction mixture was heated under microwave irradiation at 150 C for i h. The reaction mixture was poured in water and neutralised with 2 M aq. HC1 solution and extracted with EtOAc. The combined organic phases were washed with brine, dried (H frit) and concentrated in vacuo. The crude product was purified by column chromatography (basic silica, o-io% MeOH / DCM) to afford the tile compound. ?H NMR (400 MHz, DM80-cl6) 6 ppm 1.38 - i.6o (m, 2 H) i.6 -1.84 (m, 1 H) 1.89 -2.02 (m, 1 H) 3.27-3.52 (m, 6 H) 3.62 -4.26 (m, 2 H) 6.40 (br. 5., 2 H) 7.47- 7.62 (m, 3 H) 8.02 (d, J-7 Hz, 2 H) 8.12 (s, 1 H) 10.39 - 11.05 (m, i H).MS ES: 388

Reference： [1]Patent: WO2015/198045,2015,A1 .Location in patent: Page/Page column 219

17
[ 4045-29-8 ]
[ 50-00-0 ]
1-isopropyl-2-(4-isopropylphenyl)-5-methyl-1H-pyrrole [ No CAS ]
1-((1-isopropyl-5-(4-isopropylphenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-3-methoxypiperidine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
15%	With acetic acid; In water; acetonitrile; at 20℃; for 1.08333h;	General procedure: To a stirred solution of the appropriate pyrrole 49 (5.6 mmol) inacetonitrile (20 ml), a mixture of the appropriate amine (0.57 g,5.6 mmol), formaldehyde (0.18 g, 5.6 mmol) (40% in water), and5ml of glacial acetic acid was added drop-wise in 5 min. Followingaddition, the mixture was stirred at room temperature for 1 h andthen treated with a solution of sodium hydroxide (20%, w/v) andextracted with ethyl acetate. The organic extracts were combined,washed with brine, and dried over Na2SO4. The obtained residueafter solvent evaporation was purified by column chromatography,using silica gel and petroleum ether/ethyl acetate (3:1 v/v) to give1-35 and 38-45 as solids in satisfactory yields.

Reference： [1]European Journal of Medicinal Chemistry,2018,vol. 145,p. 539 - 550

18
[ 4045-29-8 ]
N-[5-(7-bromo-4-oxoquinazolin-3(4H)-yl)-2-(trifluoromethoxy)phenyl]-1-(morpholin-4-yl)cyclopropanecarboxamide [ No CAS ]
N-[5-{7-[3-methoxypiperidin-1-yl]-4-oxoquinazolin-3(4H)-yl}-2-(trifluoromethoxy)phenyl]-1-(morpholin-4-yl)cyclopropane-1-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
32%	With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100℃;Inert atmosphere;	A mixture of N- [5 -(7-bromo-4-oxoquinazolin-3 (4H)-yl)-2-(trifluoromethoxy)phenyl] -1 -(morpholin-4-yl)cyclopropane-1-carboxamide (50.0 mg, 98 % purity, 88.6 jimol), <strong>[4045-29-8]3-methoxypiperidine</strong> (18.4 mg, 159jimol), tris(dibenzylidenacetone)dipalladium (8.11 mg, 8.86 jimol), Xantphos (10.2 mg, 17.7 jimol) and cesium carbonate (86.6 mg, 266 jimol) was suspended in 1,4-dioxane (880 jil) and degassed by passing an argon stream through it for 5 mm. The reaction mixture was then heated to 100C overnight. After cooling to rt, the reaction mixture was filtered through a silica column eluting with a gradient ofdichloromethane/methanol from 100:0 to 85:15. The material obtained was then purified by preparative RP-HPLC 125x30mm with acetonitrile/water (0.2% ammonia) to deliver 16.9 mg (99 % purity, 32 % yield) of the title compound.LC-MS (Method 6): R = 2.07 mm; MS (ESIpos): m/z = 588 [M+H]1HNMR (400 MHz, DMSO-d6) [ppm]: -0.008 (2.22), 0.008 (2.27), 1.110 (3.13), 1.122 (9.12), 1.130(9.79), 1.140 (5.09), 1.158 (0.51), 1.182 (0.41), 1.223 (0.44), 1.264 (4.12), 1.274 (9.49), 1.281 (8.16),1.294 (3.20), 1.466 (0.59), 1.491 (3.01), 1.513 (5.37), 1.533 (3.91), 1.557 (0.93), 1.775 (2.11), 1.781(2.15), 1.789 (1.96), 1.805 (0.98), 1.946 (1.35), 1.970 (2.49), 1.995 (1.04), 2.327 (0.75), 2.366 (0.46),2.463 (13.58), 2.670 (0.97), 2.710 (0.59), 2.782 (0.96), 3.127 (2.57), 3.147 (3.25), 3.159 (3.02), 3.179(4.51), 3.199 (2.19), 3.208 (1.79), 3.222 (1.63), 3.340 (3.38), 3.483 (0.42), 3.611 (2.04), 3.644 (1.86),3.700 (13.73), 3.801 (2.83), 3.809 (2.87), 3.834 (2.72), 6.982 (7.79), 6.988 (8.33), 7.223 (3.87), 7.229(3.83), 7.246 (4.23), 7.252 (4.16), 7.349 (4.05), 7.356 (4.12), 7.371 (4.65), 7.377 (4.76), 7.655 (4.03),7.674 (3.47), 7.924 (9.55), 7.947 (8.67), 8.217 (16.00), 8.489 (7.88), 8.495 (8.00), 8.563 (1.39), 10.602(9.57).

Reference： [1]Patent: WO2019/63708,2019,A1 .Location in patent: Page/Page column 162

19
[ 4045-29-8 ]
lithium 5-amino-7-methoxyimidazo[1,2-c]quinazoline-2-carboxylate [ No CAS ]
(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)(3-methoxypiperidin-1-yl)methanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In N,N-dimethyl-formamide; at 20℃;	General procedure: Additional amide analogs were prepared by adding 1.5 equivalents of an amine which will provide the desired substituents into a 1 dram vial (1.5 eq.) along with lithium 5-amino-7- methoxyimidazo[1,2-c]quinazoline-2-carboxylate (30 mg, 0.114 mmol) and a DMF solution (1.0 ml) solution of DIPEA (0.079 ml, 0.454 mmol), shaking the vial for 5 minutes in a Bohdan Miniblock Shaker and then adding 1-propanephosphonic acid cyclic anhydride (50% w/w in EtOAc, 64.7 mul, 0.109 mmol), and continuing to shake the vial at RT overnight. The completed reaction was quenched with 1.0 ml water and the organic layer separated by filtering through a Varian 2 ml Reservior Frit and a Whatman 0.45mum syringe filter to remove emulsion, followed by solvent removal using a Genevac. The crude residue was dissolved in 1.0 ml DMSO and purified by LC/MS.

Reference： [1]Patent: WO2019/118313,2019,A1 .Location in patent: Page/Page column 00140-00141

20
[ 4045-29-8 ]
4-(2'-(tert-butyl)-[3,4'-bipyridin]-5-yl)-3-chlorobenzoic acid [ No CAS ]
(4-(2'-(tert-butyl)-[3,4'-bipyridin]-5-yl)-3-chlorophenyl)(3-methoxypiperidin-1-yl)methanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		[0510] To a stirred solution of 4-(2'-(tert-butyl)-[3,4'-bipyridin]-5-yl)-3-chlorobenzoic acid (100 mg,0.4098 mmol) in DMF (1 mL) was added HATU (622.8 mg,1.639 mmol) and DIPEA (158.8 mg, 1.229 mmol), and the mixture stirred for 10 min. Then <strong>[4045-29-8]3-methoxypiperidine</strong> (71 mg, 0.614 mmol) was added, and the reaction stirred at RT for 16 h. After completion of the reaction (as determined by TLC), the reaction mixture was quenched with ice cold water and extracted with ethyl acetate. The organic layer was dried with anhydrous sodium sulfate, filtered, and concentrated under reduced pressure to obtain crude product (150 mg), which was purified by preparative HPLC. Fractions containing the product were combined and concentrated under reduced pressure and lyophilized to afford (4-(2'-(tert-butyl)-[3,4'-bipyridin]-5-yl)-3-chlorophenyl)(3-methoxypiperidin-1-yl. 1H-NMR (400 MHz, DMSO de): delta (ppm): 9.07 (d, J = 2.4 Hz lH), 8.76 (d, J = 2 Hz 1H), 8.63-8.62 (m, lH), 8.36-8.35 (m,lH), 7.83-7.82 (m, 1H), 7.68-7.62 (m, 3H) 7.49 (m, lH), 3.95-3.75 (m, 1H), 3.34 (m,4H), 3.15 (m,3H), 1.90-1.70 (m, 3H),1.38 (s, 10H). LCMS: 99.56%. HPLC: 99.83% (m/z = 464.2 [M+ H]).

Reference： [1]Patent: WO2019/148125,2019,A1 .Location in patent: Paragraph 0510

21
[ 4045-29-8 ]
1-(4-fluorophenyl)-5-(4-isopropylphenyl)-1H-pyrazole-3-carbaldehyde [ No CAS ]
1-((1-(4-fluorophenyl)-5-(4-isopropylphenyl)-1H-pyrazol-3-yl)methyl)-3-methoxypiperidine [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 1423 - 1429

22
[ 4045-29-8 ]
1-cyclohexyl-5-(4-isopropylphenyl)-1H-pyrazole-3-carbaldehyde [ No CAS ]
1-((1-cyclohexyl-5-(4-isopropylphenyl)-1H-pyrazol-3-yl)methyl)-3-methoxypiperidine [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 1423 - 1429

23
[ 4045-29-8 ]
5-(4-isopropylphenyl)-1-(tetrahydro-2H-pyran-3-yl)-1H-pyrazole-3-carbaldehyde [ No CAS ]
1-((5-(4-isopropylphenyl)-1-(tetrahydro-2H-pyran-3-yl)-1H-pyrazol-3-yl)methyl)-4-methoxypiperidine [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 1423 - 1429

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

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

[ CAS No. 4045-29-8 ] {[proInfo.proName]}

Quality Control of [ 4045-29-8 ]

Related Doc. of [ 4045-29-8 ]

Product Details of [ 4045-29-8 ]

Calculated chemistry of [ 4045-29-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 4045-29-8 ]

Application In Synthesis of [ 4045-29-8 ]

[ 4045-29-8 ] Synthesis Path-Upstream 1~1

[ 4045-29-8 ] Synthesis Path-Downstream 1~23

Related Functional Groups of [ 4045-29-8 ]

Ethers

Related Parent Nucleus of [ 4045-29-8 ]

Piperidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 4045-29-8 ]

Related Parent Nucleus of
[ 4045-29-8 ]