Tert-butyl 4,4-difluoropiperidine-1-carboxylate

Basic Information

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CAS Number

281652-10-6

Molecular Formula

C10H17F2NO2

Molecular Weight

221.25 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 Specialty Chemicals UV Stabilizers

Basic Physical Properties

Boiling Point

247.7±40.0℃ at 760 mmHg

SMILES

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

InChI

InChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-6-4-10(11,12)5-7-13/h4-7H2,1-3H3

InChIKey

HHBBBPZPEBZLII-UHFFFAOYSA-N

LogP

2.6526000000000014

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

238

Synonyms & References

English

tert-Butyl 4,4-difluoro-1-piperidinecarboxylate
1-N-Boc-4,4-difluoropiperidine
[4,4']Bipiperidinyl-1-carboxylic acid tert-butyl ester
[4,4']-Bipiperidinyl-1-carboxylic acid tert-butyl ester
1-tert-butoxycarbonyl-4,4'-bipiperidine
AGN-PC-00FCHI
N-(tert-Butoxycarbonyl)-4,4'-bipiperidine
N-BOC-4,4'-BIPIPERIDINE
SureCN118561
tert butyl [4,4']bipiperidinyl-1-carboxylate
tert-Butyl [4,4'-bipiperidine]-1-carboxylate
tert-butyl 4,4-difluoropiperidine-1-carboxylate
4,4-Difluoro-piperidine-1-carboxylic acid tert-butyl ester
A876774
4,4-Difluoropiperidine-1-carboxylic acid tert-butyl ester
AS-50767
EN300-173653
P11051
J-524664
CS-W001523
BBL103271
N-Boc-4,4-Difluoropiperidine
SY098607
Butyl 4,4-difluoro-1-piperidinecarboxylate
SB40820
SCHEMBL6228410
F1907-0037
281652-10-6
STL557081
AKOS015841218
1-Boc-4,4-difluoropiperidine

MDL Number

MFCD11054110

FAQ

What are the physical and chemical properties of Tert-butyl 4,4-difluoropiperidine-1-carboxylate (CAS: 281652-10-6)?

Tert-butyl 4,4-difluoropiperidine-1-carboxylate (CAS: 281652-10-6) is a crystalline solid with a molecular weight of approximately 249.23 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and dichloromethane. This compound is known for its reactivity, particularly in nucleophilic substitution and condensation reactions.

How is Tert-butyl 4,4-difluoropiperidine-1-carboxylate (CAS: 281652-10-6) typically synthesized?

Tert-butyl 4,4-difluoropiperidine-1-carboxylate (CAS: 281652-10-6) is typically synthesized via the reaction of 4,4-difluoropiperazine with tert-butyl chloroformate in the presence of a base such as triethylamine. The process yields a high purity product with excellent regioselectivity and yield.

What industries use Tert-butyl 4,4-difluoropiperidine-1-carboxylate (CAS: 281652-10-6)?

Tert-butyl 4,4-difluoropiperidine-1-carboxylate (CAS: 281652-10-6) is used in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in the polymer industry for the modification of polymer properties and in the semiconductor industry for the development of functional materials.

What precautions should be taken when handling Tert-butyl 4,4-difluoropiperidine-1-carboxylate (CAS: 281652-10-6)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be used when handling Tert-butyl 4,4-difluoropiperidine-1-carboxylate (CAS: 281652-10-6). It should be stored in a cool, dry place away from direct sunlight. Spills should be handled according to a Material Safety Data Sheet (MSDS) and appropriate containment measures should be taken to prevent environmental contamination. Fume hoods should be used during all handling and synthesis procedures.