2,2',3,3'-Tetrahydro-1,1'-spirobi[indene]-7,7'-diol

HCID 178719513CAS 223259-63-0

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Basic information

Standard SMILES: Oc1cccc2c1C1(CC2)CCc2cccc(O)c21
InChIKey: YBRDFCQKQVTQKX-UHFFFAOYSA-N
Molecular formula: C17H16O2
Average molar mass: 252.31 g/mol

Names & identifiers

Preferred name: 2,2',3,3'-Tetrahydro-1,1'-spirobi[indene]-7,7'-diol
IUPAC: 3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
English name: 1,1'-SPIROBIINDANE-7,7'-DIOL
Molecular formula: C17H16O2
Molecular weight: 252.31

Names & synonyms

223137-87-92,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7,7'-diol223259-63-0223259-62-9(R)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7,7'-diol1,1'-Spirobiindane-7,7'-diol(S)-SPINOL2,2',3,3'-Tetrahydro-1,1'-spirobi[1H-indene]-7,7'-diol(R)-SPINOL(S)-2,2',3,3'-Tetrahydro-1,1'-spirobi[1H-indene]-7,7'-diol3,3'-spirobi[1,2-dihydroindene]-4,4'-diol3,3'-Spirobi[indane]-4,4'-diol

Show more names

SF120084Ra)-1,1'-Spirobiindane-7,7'-Diol(S)-1,1'-spirobiindane-7,7'-diol, (S)-SPINOL(R)-1,1'-spirobiindane-7,7'-diol, (R)-SPINOLS-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7,7'-diolS-2,2',3,3'-Tetrahydro-1,1'-spirobi[1H-indene]-7,7'-di

MFCD16621090(r)-1,1'-spirobiindane-7,7'-diol(s)-1,1'-spirobiindane-7,7'-diol(1S)-2,2',3,3'-Tetrahydro-1,1'-spirobi[1H-indene]-7,7'-diolMFCD31714175(S)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7,7'-diol(S)-7,7'-Dihydroxy-1,1'-spirobiindaneMFCD31580182

Database identifiers

CAS: 223259-63-0
Nikkaji: J1.055.946D、J1.055.947B、J1.786.092E

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 319

Physicochemical properties

Melting point: 155 · 155-156℃
Boiling point: 433 · 433.0±45.0 °C(Predicted)
Density: 1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: powder to crystaline
pka: 9.7 · 9.70±0.20(Predicted)
color: White to Orange to Green
InChI: InChI=1S/C17H16O2/c18-13-5-1-3-11-7-9-17(15(11)13)10-8-12-4-2-6-14(19)16(12)17/h1-6,18-19H,7-10H2
InChIKey: YBRDFCQKQVTQKX-UHFFFAOYSA-N
SMILES: [C@]12(C3=C(C=CC=C3O)CC1)C1=C(C=CC=C1O)CC2
HS Code: 2907.29 · 2907.29.9000

Safety & regulation

Safety data

hs_code: 2907.29.9000

Chemistry & industry

Applications

Uses(S)-SPINOL is used to synthesis a new class of chiral phosphoric acids with spirobiindane as scaffold and employed to catalyze the asymmetric FriedelCrafts reaction of indoles with imines to afford 3-indolyl methanamines.

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

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