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4-Piperidinemethanol

4-Piperidinemethanol structure

CAS No:
6457-49-4
Formula:
C6H13NO
Chemical Name:
4-Piperidinemethanol
Synonyms:
4-Piperidinemethanol;4-(Hydroxymethyl)piperidine;(4-Piperidyl)methanol;(4-Piperidinyl)methanol;4-Piperidine-1-methanol
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

white to off-white crystalline powder, chunks

4-Piperidinemethanol Basic Attributes

Molecular Weight：

115.17

Exact Mass：

115.17

EC Number：

613-624-9

DSSTox ID：

DTXSID00329521

HScode：

2933399090

Characteristics

PSA：

32.3

XLogP3：

-0.1

Appearance：

white to off-white crystalline powder, chunks

Density：

1.0±0.1 g/cm3

Melting Point：

56-62 °C

Boiling Point：

122 °C @ Press: 12 Torr

Flash Point：

92.3±10.5 °C

Refractive Index：

1.452

Storage Conditions：

Room temperature.

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

3263

wgk germany：

hazard class code：

safety instructions：

S26-S27-S36/37/39-S45

Marks：

C:Corrosive

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 48 companies from 4 notifications to the ECHA C&L Inventory.

4-Piperidinemethanol Use and Manufacturing

To A suspension of LIAIH4 (10. 10 G, 0. 266 MOL) IN THF (150 ML) AT 0 C, A SOLUTION OF ETHYL PIPERIDINE-4-CARBOXYLATE (18. 13 G, 0. 120 MOL) IN THF (300 ML) WAS ADDED slowly. This was stirred at room temperature overnight. It was cooled with an ice bath and A mixture of water (14 ML) and THF (28 ML) was added slowly. Afterwards, A mixture of 15percent aqueous NAOH (14 mL) and water (37 ML) was added followed by stirring at room temperature for 30 min. The precipitate obtained was filtered and the filtrate was concentrated, to afford 17. 88 g of the desired compound (yield : quantitative).2d) 4-Piperidinemethanol To a suspension of lithium aluminium hydride (8.3 mmol; 310 mg) in anhydrous THF (5 ml) at 0To a solution of ethyl isonipecotate (2 mL, 13.0 mmol, 1.0 eq.) in EtTo a mixture of LiAIHA 10 mL teflon reaction vessel was charged with the alcohol from Example A5 (0.5 g, 1.4 mmol) and tetrahydrofuran (4 mL) under N2. A 60percent NaH oil dispersion (74 mg, 1.9 mmol) was then added in one portion with much gassing. After stirring at room temperature for 30 min, a solution of 1-iodoheptane (0.39 g, 1.7 mmol) in tetrahydrofuran (1 mL) was added dropwise. The resulting mixture was heated to 50° C. for 26 hr, and then cooled to room temperature. Afterward, the mixture was partitioned between saturated ammonium chloride (5 mL) and ethyl acetate (5 mL). The organic layer was washed with water (5 mL), filtered through Celite, and concentrated in vacuo. Flash column chromatography on silica gel afforded a white crystalline solid product (131 mg, 20percent yield). 1H NMR (CDCl3) ' 0.88 (t, J=6.8 Hz, 3H), 1.22-1.35 (m, 8H), 1.52 (s, 9H), (m, 2H), 1.60-1.75 (m, 2H), 1.80-1.90 (m, 2H), 2.11 (td, J=4.5, 12.6 Hz, 2H), 2.32 (d, J=11.4 Hz, 2H), 3.17 (m, 2H), 3.25 (m, 2H), 3.31 (t, J=12.2 Hz, 2H), 3.40 (t, J=6.6 Hz, 2H), 3.46 (m, 1H), 3.55 (m, 2H), 3.96 (dd, J=4.2, 11.4 Hz, 2H); Electrospray mass spectrometry showed m/z=448 (M+H)+.

Computed Properties

Molecular Weight:115.17
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:115.099714038
Monoisotopic Mass:115.099714038
Topological Polar Surface Area:32.3
Heavy Atom Count:8
Complexity:59.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 6457-49-4

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Hebei Longbang Technology Co., Ltd Contact Supplier

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6457-49-4 4-Piperidinemethanol

CAS No.: 6457-49-4

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Content: 99%

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