2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate

Basic Information

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CAS Number

140695-84-7

Molecular Formula

C11H21NO3

Molecular Weight

215.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

92.3 °C

Boiling Point

308℃ at 760 mmHg

Water Solubility

Slightly soluble in water.

Flash Point

140.1℃

SMILES

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CC(C)(C)OC(=O)N1CCCC(C1)CO

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h9,13H,4-8H2,1-3H3/t9-/m0/s1

InChIKey

OJCLHERKFHHUTB-VIFPVBQESA-N

LogP

1.6258000000000001

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

222

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

OJCLHERKFHHUTB-VIFPVBQESA-N
(s)-n-(tert-butoxycarbonyl)-3-hydroxymethylpiperidine
tert-butyl (S)-3-(hydroxymethyl)piperidine-1-carboxylate
{(3S)-1-(tert-butoxycarbonyl)-3-piperidyl}methanol
BCP26383
t-butyl (S)-3-hydroxymethyl-1-piperidinecarboxylate
(s)-1-boc-3-(hyroxymethyl)piperidine
tert-butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
AKOS005258735
Q-103002
(3S)-3-(Hydroxymethyl)piperidine, N-BOC protected
MFCD02683202
(s)-tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
MFCD02683203
(S)-N-Boc-Piperdine-3-hydroxymethyl
SCHEMBL1785894
(S)-3-hydroxymethyl-piperidine-1-carboxylic acid, tert-butyl ester
(S)-N-Boc-3-hydroxymethyl piperidine
1,1-dimethylethyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate
140695-84-7
(s)-n-boc-3-piperidinemethanol
DTXSID10363895
(s)-1-boc-3-hydroxymethylpiperidine
EN300-1068251
AS-35391
tert-butyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate
(S)-1-Boc-3-hydroxymethyl-piperidine
tert-butyl(3S)-3-(hydroxymethyl)piperidine-1-carboxylate
{(3S)-1-(tert-butoxycarbonyl)-3-piperidyl}-methanol
tert-butyl (s)-3-hydroxymethylpiperidine-1-carboxylate
(R)-1-N-BOC-3-(HYDROXYMETHYL)PIPERIDINE

MDL Number

MFCD02683203

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 140695-84-7)?

2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate is a crystalline compound with a molecular weight of approximately 236.34 g/mol. It is slightly soluble in water and ethanol. This compound exhibits good reactivity towards nucleophiles and can undergo esterification and hydrolysis reactions. Its theoretical melting point is around 115-118°C.

How is 2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 140695-84-7) typically synthesized?

2-Methyl-2-propanyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate is typically synthesized via the reaction of 2-methylpropionyl chloride with (S)-2-(hydroxymethyl)-1-piperidine ethanol in the presence of a base such as sodium hydride. The yield is generally around 70-80%, and the reaction is carried out in an anhydrous solvent like tetrahydrofuran (THF).

What industries use 2-Methyl-2-proanyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 140695-84-7)?

2-Methyl-2-proanyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate is used primarily in the pharmaceutical industry for the synthesis of various medicinals. It is also employed in the polymer industry for the development of advanced materials. Additionally, it has applications in the sensor technology and semiconductor industries due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-2-proanyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 140695-84-7)?

When handling 2-Methyl-2-proanyl (3S)-3-(hydroxymethyl)-1-piperidinecarboxylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be used in a well-ventilated area or under a fume hood to avoid inhalation risks. Spills should be cleaned up immediately with appropriate absorbent materials, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed guidance on handling and disposal.