(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate (1:1) | CAS No. 112022-83-0

(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate (1:1)

Basic Information

CAS Number

112022-83-0

Molecular Formula

C18H22BNO2

Molecular Weight

277.18 g/mol

AD

Basic Physical Properties

Melting Point

85-95 °C

Boiling Point

111 °C

Water Solubility

Not miscible or difficult to mix in water.

Refractive Index

n20/D 1.4602

B1(N2CCCC2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C18H20BNO.H2O/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16;/h2-7,9-12,17H,8,13-14H2,1H3;1H2/t17-;/m1./s1

InChIKey

FGHJEXMVXZAHBO-UNTBIKODSA-N

LogP

3.5428000000000024

Topological Polar Surface Area

12.47 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

344

Safety Information

View Safety Information

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids
H302 Harmful if swallowed
Acute toxicity, oral
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
H351 Suspected of causing cancer
Carcinogenicity

Hazard Class

Class 3 Class 3

Sensitiveness

Air & Moisture Sensitive

Synonyms & References

English

  • (3aR)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
  • AS-47015
  • (R)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole
  • AKOS015841145
  • 1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-1-methyl-3,3-diphenyl-, (3aR)-
  • (R)-3,3-diphenyl-1-methyltetrahydro-1H,3H-pyrrolo[1,2-c] [1,3,2]oxazaborole
  • (3aR)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo(1,2-C)(1,3,2)oxazaborole
  • (3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo(1,2-C)(1,3,2)oxazaborole(R)-2-methyl-cbs-oxazaborolidine(R)-me-cbs
  • (R)-(+)-2-methyl-CBS- oxazaborolidine
  • (R)-Me-CBS Catalyst
  • DTXSID40920652
  • (r)-tetrahydro-1-methyl-3,3-diphenyl-1h, 3h-pyrrolo[1,2-c][1,3,2]oxazaborole
  • (r)-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo-[1,2-c][1,3,2]oxazaborole
  • SCHEMBL177308
  • Q4544847
  • 112022-83-0
  • (R)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine
  • (R)-1-methyl-3,3-diphenyltetrahydro-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
  • (R)-2-Methyl-CBS-oxazaborolidine
  • (R)-3,3-Diphenyl-1-methyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole
  • 2-Methyl-CBS-oxazaborolidine
  • Q-101081
  • (R)-2-methyl-CBS-oxazaborolidine(THF)
  • (R)-1-methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c] [1,3,2] oxazaborole
  • (R)-1-methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole
  • (R)-METHYL OXAZABOROLIDINE
  • AKOS015968991
  • (R)-(+)-2-Methyl-CBS-oxazaborolidine, >=95%
  • Corey's catalyst
  • (R)-2-METHYL-CBS-OXAZABOROLIDINE MONOHYDRATE
  • MFCD00078440

MDL Number

MFCD00078440

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate (CAS: 112022-83-0)?

(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate is a solid with a crystalline form. Its molecular weight is approximately 354.31 g/mol. It has limited solubility in water, but good solubility in organic solvents. It reacts readily with strong acids and bases. This compound is stable under normal conditions but may degrade under extreme pH conditions or high temperatures.

How is (3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate (CAS: 112022-83-0) typically synthesized?

(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate is synthesized through a multi-step reaction involving the boronation of a pyrrole derivative followed by ring closure. The reaction typically uses borane as a reducing agent, with triethylamine as a base. The yield is around 60-70%, depending on the reaction conditions and purity of the starting materials.

What industries use (3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate (CAS: 112022-83-0)?

(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate is used in the pharmaceutical industry for its potential as a drug candidate. It can also be used in the sensor industry for detecting specific chemical or biological analytes. Additionally, it may have applications in the semiconductor industry, particularly in photolithography processes.

What precautions should be taken when handling (3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate (CAS: 112022-83-0)?

When handling (3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate, it is important to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up promptly using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.

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