tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate

Basic Information

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CAS Number

940284-98-0

Molecular Formula

C19H31BN4O4

Molecular Weight

390.29 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H31BN4O4/c1-17(2,3)26-16(25)24-10-8-23(9-11-24)15-21-12-14(13-22-15)20-27-18(4,5)19(6,7)28-20/h12-13H,8-11H2,1-7H3

InChIKey

YODSUBUWTUTLAZ-UHFFFAOYSA-N

LogP

1.8328999999999998

Topological Polar Surface Area

77.02000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

549

Synonyms & References

English

tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate
2-(4-Boc-piperazino)pyrimidine-5-boronic acid pinacol ester
2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER
tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaboro-lan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate
1,1-dimethylethyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-1-piperazinecarboxylate
2-(2-CHLORO-BENZOYL)-3-OXO-BUTYRIC ACID METHYL
2-[4-(N-Boc)piperazin-1-yl]pyrimidine-5-boronic acid pinacol ester
2-4-(N-Boc-piperazine-1-yl)pyrimidine-5-boronic acid pinacol
YODSUBUWTUTLAZ-UHFFFAOYSA-N
ZXBA000741
tert-Butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate
tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate
EN300-7370394
W16862
SCHEMBL1075234
AKOS015960236
CS-0030623
AB42667
DTXSID50674659
940284-98-0
MFCD07781250
DS-17493
SY036571
C19H31BN4O4
tert-Butyl4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate
2-[4-(N-Boc)piperazin-1-yl]pyrimidine-5-boronic acid pinacol ester, AldrichCPR
TERT-BUTYL 4-[5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-YL]PIPERAZINE-1-CARBOXYLATE
2-(4-Boc-1-piperazinyl)pyrimidine-5-boronic Acid Pinacol Ester
Z2044810474
DA-40317

MDL Number

MFCD07781250

Customs Code

2934999090

FAQ

What are the physical and chemical properties of tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate (CAS: 940284-98-0)?

tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate is a white crystalline solid with a molecular weight of approximately 501.67 g/mol. It has good solubility in organic solvents like DMSO and poor solubility in water. This compound is chemically stable under normal conditions but can react with acids and bases. It is used in various organic reactions due to its boron-containing moiety.

How is tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate (CAS: 940284-98-0) typically synthesized?

tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate is synthesized via a Sonogashira coupling reaction between tert-butyl 4-piperazinecarboxylate and 5-bromopyrimidine, in the presence of a palladium catalyst and a base such as sodium carbonate. The reaction typically proceeds with a high yield and good selectivity.

What industries use tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate (CAS: 940284-98-0)?

tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds. It is also utilized in the development of new materials such as polymers and semiconductors, where its functional groups provide versatile reactivity.

What precautions should be taken when handling tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate (CAS: 940284-98-0)?

When handling tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperazine-1-carboxylate, it is important to use personal protective equipment (PPE) such as gloves and goggles. This compound should be handled in a fume hood to minimize inhalation risks. Spills should be cleaned up carefully, and the substance should be stored in a cool, dry place, away from heat sources and incompatible materials. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.