(11S,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine

• CAS: 138517-66-5
• Catalog Number: ACM138517665-1
• Category: Other Products
• Molecular Weight: 236.31
• Molecular Formula: C16H16N2
• Synonyms: (S,S)-11,12-Diamino-9,10-dihydro-9,10-ethanoanthracene
• IUPAC Name: (15S,16S)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine
• Canonical SMILES: C1=CC=C2C3C(C(C(C2=C1)C4=CC=CC=C34)N)N
• InChI: NWDYSRZJOLDMRE-CKUJCDMFSA-N
• InChI Key: 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-/m0/s1
• Boiling Point: 396.72ºC at 760 mmHg
• Melting Point: 152.5-153.9 °C
• Flash Point: 231.6ºC
• Density: 1.195g/cm³
• Appearance: Off-white powder
• Complexity: 273
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 236.13100
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 18
• Isomeric SMILES: C1=CC=C2C3[C@@H]([C@H](C(C2=C1)C4=CC=CC=C34)N)N
• Monoisotopic Mass: 236.131g/mol
• Topological Polar Surface Area: 52A^2

Synthetic Use

Upstream Synthesis Route 1

• 143668-69-3

• 138517-66-5

Reference: [1]Tetrahedron Asymmetry,2000,vol. 11,p. 3527 - 3534

Downstream Synthesis Route 1

• 17261-28-8
• 138517-66-5

• 138517-65-4

Reference: [1]Journal of the American Chemical Society,1992,vol. 114,p. 9327 - 9343
[2]Angewandte Chemie,1992,vol. 104,p. 194 - 196

* For details of the synthesis route, please refer to the original source to ensure accuracy.