3,6-Octanediol, (3R,6R)-


Chemical Name: 3,6-Octanediol, (3R,6R)-
CAS Number: 129619-37-0
Product Number: AG003BT9(AGN-PC-0O0WUE)
Synonyms:
MDL No:
Molecular Formula: C8H18O2
Molecular Weight: 146.2273

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
146.23g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
146.131g/mol
Monoisotopic Mass:
146.131g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
63.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



(3R,6R)-Octane-3,6-diol is a versatile compound that finds numerous applications in chemical synthesis. In the field of organic chemistry, this specific type of diol is often utilized as a chiral building block due to its unique stereochemical configuration. Its 3R and 6R stereochemistry impart distinctive properties that make it a valuable intermediate in the synthesis of complex molecules and pharmaceuticals.One of the key applications of (3R,6R)-Octane-3,6-diol is its use as a starting material in the synthesis of chiral ligands. These ligands play a crucial role in catalytic asymmetric reactions, where they help control the stereochemistry of the products formed. By incorporating (3R,6R)-Octane-3,6-diol into the structure of the ligand, chemists can fine-tune the selectivity and efficiency of various asymmetric transformations.Furthermore, (3R,6R)-Octane-3,6-diol can serve as a building block for the preparation of chiral auxiliaries. These auxiliaries are temporary chiral modifiers that facilitate the asymmetric synthesis of target molecules by enabling key stereoselective steps. The presence of this specific diol moiety in the auxiliary structure imparts stereoselectivity to the reaction, leading to the formation of enantiomerically enriched products.In summary, (3R,6R)-Octane-3,6-diol plays a crucial role in chemical synthesis as a chiral building block for the construction of complex molecules, chiral ligands, and auxiliaries. Its unique stereochemical properties make it a valuable tool for achieving high levels of stereocontrol in asymmetric synthesis processes.