(3aS)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole

Basic Information

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CAS Number

112022-81-8

Molecular Formula

C18H20BNO

Molecular Weight

277.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

115-117°C

Boiling Point

111 °C

Water Solubility

Hydrolyzes in water.

Refractive Index

n20/D 1.460

SMILES

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CB1OC([C@@H]2CCCN12)(c3ccccc3)c4ccccc4

InChI

InChI=1S/C18H20BNO/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/t17-/m0/s1

InChIKey

VMKAFJQFKBASMU-KRWDZBQOSA-N

LogP

3.5428000000000024

Topological Polar Surface Area

12.47 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

344

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class 3 Class 3

Sensitiveness

Air & Moisture Sensitive

Synonyms & References

English

(S)-Methyl oxazaborolidine
(S)-3,3-Diphenyl-1-methyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole
(S)-2-Methyl-CBS-oxazaborolidine
(S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole
(S)-(-)-2-Methyl-CBS-oxazaborolidine
(S)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine
(S)-(-)-2-Methyl-CBS-oxazaborolidine, 1.0 M solution in THF
(S)-(-)-2-Methyl-CBS-oxazaborolidine, 1.0 M solution in toluene
(S)-(?)-2-Methyl-CBS-oxazaborolidine
(S)-2-Methyl-CBS-oxazaborolidine (1 M in Toluene)
(S)-2-Methyl-CBS-oxazaborolidine, 1M in toluene
(S)-3,3-Diphenyl-1-Methyltetrahydro-1H,3H-Pyrrolo[1,2-c][1,3,2]Oxazaborole
(S)-Methyl Oxazaborolidine（S-CBS）
(S)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole, 0.9-1.1M in toluene [(S)-Methyloxazaborolidine] (S)-CBS Catalyst
(3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
(S)-(-)-2-Methyl-CBS-oxazaborolidine, 1M solution in toluene
(S)-2-Methyl-CBS-oxazaborolidine, 1M soln. in toluene
(S)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole, 0.9-1.1M in toluene [(S)-Methyloxazaborolidine] Corey Catalyst
(S)-Tetrahydro-1-Methyl-3,3-Triphenyl-1H,3H-Pyrrolo[1,2-c][1,3,2]Oxazaborole
(S)-Me-CBS Catalyst
(S)-ME CBS
(s)-methyl
(S)-Tetrahydro-1-Methyl-3
1-(S)-methyl CBS oxazaborolidine
(S)-(+)-Methyl-CBS-oxazaborolidine
(S)-2-Methyl-CBS-oxazaborolidine ,98%
Corey catalyst
(S)-1-Methyl-3,3-diphenylhexahydropyrrolo[1,2-c][1,3,2]oxazaborole
(S)-Methyl-CBS-oxazaborolidine
(S)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
(S)-METHYL-CBS

MDL Number

MFCD00078439

Customs Code

2934999090

FAQ

What is (3aS)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole (CAS: 112022-81-8)?

(3aS)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole is a synthetic organic compound with a unique structure. It is characterized by its chemical formula C20H18BNO. This compound exhibits a colorless to white crystalline form and is used primarily in pharmaceutical applications due to its biological activity.

What are the main uses of (3aS)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole (CAS: 112022-81-8)?

(3aS)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole is mainly used in the pharmaceutical industry as a precursor or intermediate in the synthesis of various bioactive molecules. Its unique structure makes it valuable in the development of new drugs.

Is (3aS)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole (CAS: 112022-81-8) safe?

(3aS)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole is generally considered safe for its intended use in pharmaceuticals. However, it should be handled with caution due to potential toxicity. Proper personal protective equipment and appropriate safety measures should be followed during handling and storage to ensure safety.

How should (3aS)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole (CAS: 112022-81-8) be stored?

(3aS)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole should be stored in a tightly sealed container at room temperature, away from direct sunlight and moisture. It is stable under these conditions and should not be exposed to extreme temperatures or humidity to maintain its integrity and prevent degradation.