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Structure

1,3-Dioxolane-4-methanol,2,2-dimethyl-,4-(4-methylbenzenesulfonate),(4R)-

CAS
23788-74-1
Catalog Number
ACM23788741
Category
Other Products
Molecular Weight
286.344
Molecular Formula
C13H18O5S
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Specification

Synonyms
NSC36147, ZINC01668592, CID6993835, D2549, I14-4141, D-(-)-1,2-Isopropylideneglycerol 3-(p-Toluenesulfonate), (R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate, 23788-74-1
IUPAC Name
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(C)C
InChI Key
SRKDUHUULIWXFT-LLVKDONJSA-N
Boiling Point
400.1ºC at 760 mmHg
Melting Point
41-43ºC(lit.)
Flash Point
195.8ºC
Density
1.208 g/mL at 25ºC(lit.)
Appearance
clear yellow viscous liquid.
Exact Mass
286.08700
Hazard Statements
Xn: Harmful;Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
0
Safety Description
26-36-37/39
WGK Germany
3

Upstream Synthesis Route 1

  • 22323-82-6
  • 98-59-9

Reference: [1] Tetrahedron, 2013, vol. 69, # 5, p. 1634 - 1648

Upstream Synthesis Route 2

Reference: [1] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 3, p. 586 - 592

Upstream Synthesis Route 3

  • 22323-82-6
  • 98-59-9

Reference: [1]Tetrahedron,2013,vol. 69,p. 1634 - 1648

Downstream Synthesis Route 1

  • 23735-39-9

Reference: [1] Journal of Organic Chemistry, 1992, vol. 57, # 11, p. 3365 - 3380

Downstream Synthesis Route 2

Reference: [1]Helvetica Chimica Acta,1989,vol. 72,p. 1301 - 1310

Downstream Synthesis Route 3

Reference: [1]Chemical and pharmaceutical bulletin,1981,vol. 29,p. 3593 - 3600

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

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