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138517-66-5

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138517-66-5 Structure

138517-66-5 Structure
IdentificationBack Directory
[Name]

(11S,12S)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE-11,12-DIAMINE
[CAS]

138517-66-5
[Synonyms]

(S,S)-11,12-Diamino-9,10-dihydro-9,10-ethanoanthracene
(11S,12S)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE-11,12-DIAMINE
(11S,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine>
9,10-Ethanoanthracene-11,12-diamine, 9,10-dihydro-, (11S,12S)-
(11S,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine >=95.0% (HPLC)
(11S,12S)-11,12-diamino-9,10-dihydro-9,10-ethanoanthracene (R)-mandelate monoammonium salt
[Molecular Formula]

C16H16N2
[MDL Number]

MFCD06654768
[MOL File]

138517-66-5.mol
[Molecular Weight]

236.312
Chemical PropertiesBack Directory
[Melting point ]

158 °C
[Boiling point ]

396.7±42.0 °C(Predicted)
[density ]

1.195±0.06 g/cm3(Predicted)
[refractive index ]

20 ° (C=1, MeOH)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

powder to crystal
[pka]

9.38±0.40(Predicted)
[color ]

White to Orange to Green
[Optical Rotation]

Consistent with structure
[BRN ]

8693351
[InChI]

1S/C16H16N2/c17-15-13-9-5-1-2-6-10(9)14(16(15)18)12-8-4-3-7-11(12)13/h1-8,13-16H,17-18H2/t13-,14+,15-,16-/m1/s1
[InChIKey]

NWDYSRZJOLDMRE-QKPAOTATSA-N
[SMILES]

N[C@H]1[C@H](N)[C@H]2c3ccccc3[C@@H]1c4ccccc24
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2921.51.5000
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Uses]

(11S,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine is a chiral diamine, which can be used as a reactant:
  • To synthesize pyridine based C2-symmetrical chiral organocatalysts via palladium catalyzed coupling reaction with 2-bromo-4-(alkylamino)pyridine.
  • To prepare porous organic imine cages by cycloimination reaction with triformylbenzene.
  • To synthesize Ga/Yb-Schiff base complex, which is utilized as a catalyst for the asymmetric synthesis of 5-amino-2-(hydroxyalkyl)oxazoles by enantioselective α-addition of α-isocyano amides to aldehydes.

Spectrum DetailBack Directory
[Spectrum Detail]

(11S,12S)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE-11,12-DIAMINE(138517-66-5)1HNMR
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