tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine-1-carboxylate | CAS No. 1042917-53-2

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

Basic Information

CAS Number

1042917-53-2

Molecular Formula

C21H33BN2O6S

Molecular Weight

452.38 g/mol

AD

Basic Physical Properties

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33BN2O6S/c1-19(2,3)28-18(25)23-12-14-24(15-13-23)31(26,27)17-10-8-16(9-11-17)22-29-20(4,5)21(6,7)30-22/h8-11H,12-15H2,1-7H3

InChIKey

SYBIHBXDDYAZBX-UHFFFAOYSA-N

LogP

2.2272000000000007

Topological Polar Surface Area

85.38000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

742

Safety Information

View Safety Information

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

  • 4-(4-Boc-Piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester
  • tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine-1-carboxylate
  • tert-Butyl 4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene]sulfonyl}piperazine-1-carboxylate
  • 2-{4-[((4-tert-butoxycarbonyl)piperazin-1-yl)sulfonyl]phenyl}-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
  • C-2491
  • tert-butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine-1-carboxylate
  • 4-(4-BOC-PIPERAZIN-1-YLSULFONYL)PHENYLBORONIC ACID
  • tert-Butyl 4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene]sulfonyl}piperazine-1-carboxylat
  • tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl]piperazine-1-carboxylate
  • CS-0058029
  • 4-(4-BOC-PIPERAZIN-1-YLSULFONYL)PHENYLBORONIC ACID PINACOL ESTER
  • DTXSID70725490
  • A896252
  • 1042917-53-2
  • DB-205028
  • SYBIHBXDDYAZBX-UHFFFAOYSA-N
  • P11749
  • tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonyl]piperazine-1-carboxylate
  • MB13644
  • tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine-1-carboxylate
  • 4-(4-Boc-piperazin-1-ylsulfonyl)phenylboronicacidpinacolester
  • tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl]piperazine-1-carboxylate
  • MFCD14702533
  • AS-2798
  • tert-Butyl4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine-1-carboxylate
  • AKOS022168291
  • TERT-BUTYL 4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYLSULFONYL)PIPERAZINE-1-CARBOXYLATE
  • tert-butyl 4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene]sulfonyl}piperazine-1-carboxylate
  • SCHEMBL3023685

MDL Number

MFCD14702533

FAQ

What are the physical and chemical properties of tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS: 1042917-53-2)?

This compound is a white solid with a crystalline form. Its molecular weight is approximately 508.51 g/mol. It is poorly soluble in water but soluble in organic solvents like DMF and DMSO. Chemically, it is stable under normal conditions but can react with strong acids or bases. It is a key intermediate in organic synthesis, particularly in boronate ester formation.

How is tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS: 1042917-53-2) typically synthesized?

This compound is typically synthesized via a coupling reaction between 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl sulfonyl chloride and tert-butyl piperazine-1-carboxylate. The reaction is catalyzed by a palladium compound and a base such as potassium carbonate. The yield is generally around 70-80%, and the selectivity is high for the desired product.

What industries use tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS: 1042917-53-2)?

This compound is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It is also utilized in the polymer industry for the modification of polymers, and in the semiconductor industry for the development of photoresists and other materials.

What precautions should be taken when handling tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS: 1042917-53-2)?

Proper personal protective equipment (PPE) such as gloves, goggles, and lab coat should be worn when handling this compound. It should be stored in a cool, dry place away from heat and direct sunlight. In case of spill, it should be cleaned up using appropriate absorbent materials. Handling should be done in a fume hood to minimize exposure. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...