2-Methyl-2-propanyl 3-(bromomethyl)-1-piperidinecarboxylate

Basic Information

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CAS Number

193629-39-9

Molecular Formula

C11H20BrNO2

Molecular Weight

278.19 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

Melting Point

41-45°C

Boiling Point

318.3℃ at 760 mmHg

SMILES

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

InChI

InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3

InChIKey

MGGZYACWICDRRD-UHFFFAOYSA-N

LogP

3.0284000000000013

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

225

Safety Information

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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

(R)-N-Boc-3-(bromomethyl)piperidine
tert-butyl 3-(bromomethyl)piperidine-1-carboxylate
1-Boc-3-bromomethylpiperidine
SY014501
W-206432
1-Boc-3-bromomethylpiperidine, AldrichCPR
EN300-154231
CS-W019015
A813656
MFCD11111932
AM100459
MGGZYACWICDRRD-UHFFFAOYSA-N
(S)-N-Boc-3-(bromomethyl)piperidine
SCHEMBL376819
SY019586
DTXSID50941050
193629-39-9
1-Piperidinecarboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester
MFCD04115539
BL006147
PB18669
MFCD11111933
PB25378
FT-0648160
FT-0772677
N-BOC-3-(BROMOMETHYL)PIPERIDINE
SY019585
AS-18191
1-Boc-3-(Bromomethyl)piperidine
3-Bromomethyl-piperidine-1-carboxylic acid tert-butyl ester
AKOS015841619

MDL Number

MFCD04115539

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 3-(bromomethyl)-1-piperidinecarboxylate (CAS: 193629-39-9)?

2-Methyl-2-propanyl 3-(bromomethyl)-1-piperidinecarboxylate (CAS: 193629-39-9) is a crystalline compound with a molecular weight of approximately 286.64 g/mol. It has a moderate solubility in organic solvents like ethanol and poor solubility in water. This compound exhibits limited reactivity under normal conditions but can undergo nucleophilic substitution reactions. It is sensitive to moisture and heat, requiring storage under anhydrous and mild conditions.

How is 2-Methyl-2-propanyl 3-(bromomethyl)-1-piperidinecarboxylate (CAS: 193629-39-9) typically synthesized?

2-Methyl-2-propanyl 3-(bromomethyl)-1-piperidinecarboxylate (CAS: 193629-39-9) is synthesized through a multi-step reaction involving the bromination of 1-piperidinecarboxylic acid with methyl 2-bromopropionate. The reaction typically requires a base such as sodium hydride and proceeds with good yield under anhydrous conditions. The product is isolated and purified by recrystallization.

What industries use 2-Methyl-2-propanyl 3-(bromomethyl)-1-piperidinecarboxylate (CAS: 193629-39-9)?

2-Methyl-2-propanyl 3-(bromomethyl)-1-piperidinecarboxylate (CAS: 193629-39-9) is used in the pharmaceutical industry for the synthesis of bioactive compounds. It is also relevant in the fine chemical sector for the production of speciality chemicals. Its applications in other industries such as polymers and sensors are less common but are explored for their potential in material science.

What precautions should be taken when handling 2-Methyl-2-propanyl 3-(bromomethyl)-1-piperidinecarboxylate (CAS: 193629-39-9)?

When handling 2-Methyl-2-propanyl 3-(bromomethyl)-1-piperidinecarboxylate (CAS: 193629-39-9), it is essential to wear appropriate Personal Protective Equipment (PPE), including gloves, safety goggles, and lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be managed carefully, and the material safety data sheet (MSDS) should be consulted for detailed spill cleanup procedures. Storage should be in a cool, dry, and well-ventilated area away from direct sunlight and heat sources.