(3aS)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
Properties
- Molecular formula
- C18H20BNO
- Molar mass
- 277.17 g/mol
- Exact mass
- 277.1638 Da
- Melting point
- 74–87 °C
- logP
- 3.54Crippen estimate
- Polar surface area
- 12.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
112022-81-8SMILES
CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12InChIKey
VMKAFJQFKBASMU-KRWDZBQOSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-1-methyl-3,3-diphenyl-, (3aS)-
- 1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-1-methyl-3,3-diphenyl-, (S)-
- (S)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
- (S)-2-Methyl-CBS-oxazaborolidine
- (S)-CBS reagent
- (S)-Methyl-CBS
- (S)-(-)-2-Methyl-CBS-oxazaborolidine
- (S)-Me-CBS
- (3AS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
- (S)-3,3-Diphenyl-1-methyltetrahydro-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
Work with (3aS)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-141 % similar
(R)-Alpha,alpha-diphenylmethylprolinol144119-12-041 % similar
Clemastine15686-51-831 % similar
(S,S)-TADDOL93379-49-830 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds