2-Methyl-2-propanyl 4-bromo-1-piperidinecarboxylate

Basic Information

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CAS Number

180695-79-8

Molecular Formula

C10H18BrNO2

Molecular Weight

264.16 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

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

40.0 to 44.0 deg-C

Boiling Point

100-118 °C/0.5 mmHg

Refractive Index

n20/D 1.4905

SMILES

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CC(C)(C)OC(=O)N1CCC(CC1)Br

InChI

InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3

InChIKey

KZBWIYHDNQHMET-UHFFFAOYSA-N

LogP

2.780800000000001

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

205

Safety Information

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GHS Hazard Pictograms

H302

H400

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

N-Boc 4-bromopiperidine
4-Bromo-piperidine-1-carboxylic acid tert-butyl ester
N-t butyloxycarbonyl-4-bromopiperidine
AC-23296
CL3104
4-bromo-1-t-butoxycarbonylpiperidine
tert-Butyl 4-bromo-1-piperidinecarboxylate
SY007661
180695-79-8
4-bromo-1(tert-butoxycarbonyl)piperidine
1-Piperidinecarboxylic acid, 4-bromo-, 1,1-dimethylethyl ester
A4005
N-BOC-4-BROMOPIPERIDINE
N-Boc-(4-bromo)piperidine
4-bromo-piperidine-l-carboxylic acid tert-butyl ester
tert-Butyl 4-bromopiperidine-1-carboxylate
SCHEMBL1199550
4-bromo-n-boc-piperidine
tert-butyl 4-bromo-1-piperidinecarboxlate
1-PIPERIDINECARBOXYLIC ACID,4-BROMO-,1,1-DIMETHYLETHYL ESTER
1-Boc-4-bromopiperidine
DTXSID20573882
B5585
4-bromo-1-(tert-butoxycarbonyl)piperidine
Q-102998
1-BOC-4-BROMO PIPERIDINE
CS-W001478
1-tert-Butoxycarbonyl-4-bromopiperidine
FT-0648157
AM100405
EN300-142177

MDL Number

MFCD04115039

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-bromo-1-piperidinecarboxylate (CAS: 180695-79-8)?

2-Methyl-2-propanyl 4-bromo-1-piperidinecarboxylate (CAS: 180695-79-8) is a crystalline solid with a molecular weight of approximately 249.04 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is stable at room temperature but should be stored in a cool, dry place away from direct sunlight.

How is 2-Methyl-2-propanyl 4-bromo-1-piperidinecarboxylate (CAS: 180695-79-8) typically synthesized?

2-Methyl-2-propanyl 4-bromo-1-piperidinecarboxylate (CAS: 180695-79-8) is typically synthesized via the reaction of 1-piperidinecarboxylic acid with 2-methyl-2-propanol in the presence of a catalytic amount of a Lewis acid such as aluminum chloride. The reaction proceeds via a nucleophilic acyl substitution, yielding a high yield of the desired product with good selectivity.

What industries use 2-Methyl-2-proanyl 4-bromo-1-piperidinecarboxylate (CAS: 180695-79-8)?

2-Methyl-2-proanyl 4-bromo-1-piperidinecarboxylate (CAS: 180695-79-8) is used in the pharmaceutical industry for intermediate synthesis, particularly in the development of certain antiviral and antibacterial agents. It may also find applications in the polymer industry for modifying properties of polymers and in the chemical sensor industry for developing new analytical methods.

What precautions should be taken when handling 2-Methyl-2-proanyl 4-bromo-1-piperidinecarboxylate (CAS: 180695-79-8)?

When handling 2-Methyl-2-proanyl 4-bromo-1-piperidinecarboxylate (CAS: 180695-79-8), it is important to wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Handle under a fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.