Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate

Basic Information

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CAS Number

1104383-06-3

Molecular Formula

C11H20N2O3

Molecular Weight

228.29 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

SMILES

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CC1(C(=O)NCCN1C(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-7-6-12-8(14)11(13,4)5/h6-7H2,1-5H3,(H,12,14)

InChIKey

ADXBXIQTAQOYRW-UHFFFAOYSA-N

LogP

1.1318999999999997

Topological Polar Surface Area

58.64 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

305

Synonyms & References

English

2,2-dimethyl-3-oxo-1-Piperazinecarboxylic acid 1,1-dimethylethyl ester
tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate
t-Butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate
Z1142580754
tert-butyl2,2-dimethyl-3-oxopiperazine-1-carboxylate
MFCD18845275
SCHEMBL1632144
ADXBXIQTAQOYRW-UHFFFAOYSA-N
SY058528
1104383-06-3
4-Boc-3,3-dimethyl-2-piperazinone
DA-47871
AKOS012917515
AS-44625
EN300-71564
CHEMBL4890772
CS-0217224

MDL Number

MFCD18845275

FAQ

What are the physical and chemical properties of Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate (CAS: 1104383-06-3)?

Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate is a white crystalline solid with a molecular weight of approximately 266.38 g/mol. It is soluble in organic solvents like dichloromethane and acetone but has low water solubility. This compound is known for its stability under normal conditions and exhibits moderate reactivity towards nucleophiles. It is often used in organic synthesis and pharmaceutical applications.

How is Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate (CAS: 1104383-06-3) typically synthesized?

Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate can be synthesized via a multi-step process involving the reaction of tert-butyl chloroformate with dimethyl piperazin-2-one. The key steps include the formation of the piperazine intermediate, followed by protection of the hydroxyl groups with tert-butyloxycarbonyl (Boc) groups. This compound is typically synthesized with high selectivity and yields, making it a valuable intermediate in organic synthesis.

What industries use Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate (CAS: 1104383-06-3)?

Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various medicinal compounds and is also utilized in the development of polymers and sensors due to its unique structural properties.

What precautions should be taken when handling Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate (CAS: 1104383-06-3)?

When handling Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and flammable materials. Fume hoods should be used during operations to minimize inhalation risks. In the event of a spill, immediately clean up with appropriate absorbent materials and follow safety protocols outlined in the Material Safety Data Sheet (MSDS/SDS).