31752-99-5

Name (-)-Corey lactone 4-phenylbenzoate alcohol
CAS 31752-99-5
EINECS(EC#) 608-667-5
Molecular Formula C21H20O5
MDL Number MFCD00078077
Molecular Weight 352.38
MOL File 31752-99-5.mol
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Chemical Properties

Appearance Off-White to Pale Yellow Solid
Melting point  131-132 °C(lit.)
alpha  -89 º (c=1, CHCl3)
Boiling point  446°C (rough estimate)
density  1.1818 (rough estimate)
refractive index  1.5400 (estimate)
storage temp.  2-8°C
solubility  Chloroform, Ethyl Acetate
form  Solid
pka 14.79±0.10(Predicted)
color  Off-White to Pale Yellow
Optical Rotation [α]20/D 87°, c = 1 in chloroform
Water Solubility  insoluble
Usage Key intermediate in the synthesis of prostaglandins. Versatile building block for prostaglandins. Building block for a potent and selective antiglaucoma agent analog of PGF2a
BRN  1294692
InChI 1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m1/s1
InChIKey SZJVIFMPKWMGSX-UHFFFAOYSA-N
SMILES OC[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)c3ccc(cc3)-c4ccccc4
CAS DataBase Reference 31752-99-5(CAS DataBase Reference)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
REACH Registrations Active
HS Code  29322090
Storage Class 11 - Combustible Solids

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