29400
D-α,β-Cyclohexylideneglycerol
≥98.0% (sum of enantiomers, GC)
Synonym(s):
(S)-(+)-1,4-Dioxaspiro[4.5]decane-2-methanol
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About This Item
Empirical Formula (Hill Notation):
C9H16O3
CAS Number:
Molecular Weight:
172.22
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
108000
Assay:
≥98.0% (sum of enantiomers, GC)
Form:
liquid
assay
≥98.0% (sum of enantiomers, GC)
form
liquid
optical activity
[α]20/D +5.9±0.5°, c = 5% in methanol
refractive index
n20/D 1.477 (lit.), n20/D 1.480
bp
118-120 °C/5 mmHg (lit.)
density
1.096 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
OC[C@H]1COC2(CCCCC2)O1
InChI
1S/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2/t8-/m0/s1
InChI key
XUGYZVQSZWPABZ-QMMMGPOBSA-N
Application
D-α,β-Cyclohexylideneglycerol can be used:
- As an intermediate in the synthesis of antiarrhythmic oral drugs: (+)- and (−)-mexiletine.
- As a precursor in the preparation of glycoglycerolipids.
- As an intermediate in the synthesis of (S)-hydroxymethyl-1,4-benzodioxane, a key intermediate for the preparation of α-adrenergic receptor antagonists, and antidepressant drug doxazosin.
Other Notes
Chiral building block; used e.g. in the synthesis of glycerides and carbohydrates
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
Regulatory Information
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R.R. Schmidt et al.
J. Carbohydr. Res., 3, 67-67 (1984)
A facile approach to chiral 1, 4-benzodioxane toward the syntheses of doxazosin, prosympal, piperoxan, and dibozane
Rouf A, et al.
Tetrahedron Letters, 54(48), 6420-6422 (2013)
Enantiodivergent syntheses of (+)-and (−)-1-(2, 6-dimethylphenoxy) propan-2-ol: A way to access (+)-and (−)-mexiletine from D-(+)-mannitol
Manna A, et al.
Carbohydrate Research, 487, 107892-107892 (2020)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 29400-5ML | 04061837719141 |