1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea | CAS No. 874299-07-7

1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

Basic Information

CAS Number

874299-07-7

Molecular Formula

C17H27BN2O3

Molecular Weight

318.23 g/mol

AD

Basic Physical Properties

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)NCCCC

InChI

InChI=1S/C17H27BN2O3/c1-6-7-11-19-15(21)20-14-10-8-9-13(12-14)18-22-16(2,3)17(4,5)23-18/h8-10,12H,6-7,11H2,1-5H3,(H2,19,20,21)

InChIKey

DYBDTMCEAHKZHI-UHFFFAOYSA-N

LogP

2.9074000000000018

Topological Polar Surface Area

59.59 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

399

Synonyms & References

English

  • 874299-07-7
  • CS-0175918
  • 1-butyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
  • 1-butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
  • 3-(3-Butylureido)phenylboronic acid,pinacol ester
  • 3-(3-Butylureido)phenylboronic acid pinacol ester
  • 3-BUTYL-1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA
  • 3-(3-Butylureido)phenylboronic acid, pinacol ester
  • A862598
  • N-Butyl-N'-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
  • AS-72480
  • D93213
  • DTXSID50674316
  • ZJB29907
  • AKOS015999436
  • MFCD06659931
  • 1-Butyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
  • OR360861
  • AX8230407
  • ST24021282

MDL Number

MFCD06659931

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (CAS: 874299-07-7)?

1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea has a crystalline form and a molecular weight of approximately 448.4 g/mol. It is sparingly soluble in water but readily soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). This compound is relatively stable but can react with strong acids or bases. It is often used in organic synthesis due to its reactivity with boron species.

How is 1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (CAS: 874299-07-7) typically synthesized?

1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea is typically synthesized via a multistep process involving the coupling of a boronic acid derivative with a phenyl isocyanate under the presence of a palladium catalyst, such as tetrakis(triphenylphosphine)palladium(0). The process yields a high purity product with good selectivity and yield.

What industries use 1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (CAS: 874299-07-7)?

1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea is primarily used in the pharmaceutical industry for its use as an intermediate in the synthesis of various bioactive compounds. It is also used in the polymer industry for developing novel materials with specific properties, and in the semiconductor industry for its role in doping processes.

What precautions should be taken when handling 1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (CAS: 874299-07-7)?

When handling 1-Butyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, it is important to wear appropriate personal protective equipment (PPE), including gloves, laboratory coat, and safety glasses. Work should be carried out in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be decontaminated. Safety data sheets (SDS) should be consulted for detailed handling and disposal instructions.

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