(3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid

Basic Information

View in Editor

CAS Number

163438-09-3

Molecular Formula

C11H19NO4

Molecular Weight

229.28 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

Solid

Melting Point

165-169°C

Boiling Point

353.2℃ at 760 mmHg

Flash Point

167.4℃

Specific Rotation

-55 ~ -59° (c=1, chloroform)

SMILES

View in Editor

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

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1

InChIKey

NXILIHONWRXHFA-MRVPVSSYSA-N

LogP

1.7181

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

282

Safety Information

View Safety Information

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BOC-D-NIP-OH
(r)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
PB18558
(3R)-Piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
(R)-Boc-nipecotic acid
EN300-96348
(R)-1-Boc-nipecotic acid
(R)-1-Boc-piperidine-3-carboxylic acid, AldrichCPR
(R)-N-(tert-Butoxycarbonyl)-piperidine-3-carboxylic acid
MFCD02179173
(r)-1-boc-piperidine-3-carboxylic acid
d-1-boc-nipecotic acid
BOC-(R)-PIPERIDINE-3-CARBOXYLIC ACID
AKOS005258725
SCHEMBL181768
(R)-N-BOC-NIPECOTIC ACID
AC-15319
(R)-Boc-Nip-OH
(r)-(-)-n-boc-nipecotic acid
F1905-7217
HY-W002900
B4836
(3r)-1-(tert-butoxycarbonyl)-3-piperidinecarboxylic acid
(R)-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;(R)-1-BOC-NIPECOTIC ACID
(r)-boc-nip
AC-3374
CS-W002900
DS-1462
BP-12855
N-Boc-R-3-carboxylic acid piperidine
N-Boc-(R )-nipecotic acid

MDL Number

MFCD02179173

Customs Code

2933399090

FAQ

What are the physical and chemical properties of (3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid (CAS: 163438-09-3)?

(3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid is a white crystalline solid with a high molecular weight of approximately 256.39 g/mol. It is slightly soluble in water but soluble in common organic solvents such as methanol and ethanol. This compound is less reactive under normal conditions but can undergo esterification reactions. Its stability under acidic and basic conditions is moderate.

How is (3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid (CAS: 163438-09-3) typically synthesized?

(3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid is usually synthesized via a multi-step process involving the protection of the piperidine ring, followed by acylation of the alcohol group, and subsequent deprotection. Commonly, this involves the use of a protected piperidine, acylation with an acyl chloride in the presence of a base, and then removal of the protecting group. This synthesis generally yields a high purity product with good selectivity.

What industries use (3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid (CAS: 163438-09-3)?

(3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid finds applications in the pharmaceutical industry, where it can serve as an intermediate in the synthesis of various medicinal compounds. It is also used in polymer science for the modification of polymer properties and in the development of sensor technologies, particularly in the detection of specific chemical species.

What precautions should be taken when handling (3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid (CAS: 163438-09-3)?

When handling (3R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid, it is essential to use appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Ensure good ventilation and use a fume hood during operations. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed information and emergency procedures.