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Structure

2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate

CAS
14152-97-7
Catalog Number
ACM14152977
Category
Other Products
Molecular Weight
389.38
Molecular Formula
C15H19NO9S

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  • Case Study
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  • Synthetic Use
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Specification

Synonyms
ZINC04202729, 14152-97-7
IUPAC Name
[(2S,3R,4S,5S,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-isothiocyanatooxan-3-yl] acetate
Canonical SMILES
CC(=O)OCC1C(C(C(C(O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C
InChI Key
WOWNQYXIQWQJRJ-AIEDFZFUSA-N
Boiling Point
469.7ºC at 760 mmHg
Melting Point
114-116ºC(lit.)
Flash Point
237.8ºC
Density
1.4 g/cm³
Exact Mass
389.07800
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
10
H-Bond Donor
0
Safety Description
22-26-36-45
WGK Germany
3

Downstream Synthesis Route 1

  • 54-85-3
  • 14152-97-7
  • 64504-25-2

Reference: [1]Ogura; Takahashi; Sato
[Chemical and Pharmaceutical Bulletin, 1981, vol. 29, # 8, p. 2188 - 2192]
[2]Nayak, Riddhi A.; Mangte, Anvita D.
[Asian Journal of Chemistry, 2021, vol. 33, # 1, p. 127 - 131]
[3]Micheel; Brunkhorst
[Chemische Berichte, 1955, vol. 88, p. 481,485]

Downstream Synthesis Route 2

  • 14152-97-7
  • 63128-98-3

Reference: [1]Location in patent: experimental part
Ghosh, Samir; Misra, Anup Kumar; Bhatia, Gitika; Khan; Khanna
[Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 2, p. 386 - 389]

Downstream Synthesis Route 3

  • 4779-31-1
  • 14152-97-7
  • 77489-39-5

Reference: [1]Carbohydrate Research,1980,vol. 85,p. 201 - 208

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

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