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Home Other Building Blocks 2879-20-1
2879-20-1,MFCD00006823
Catalog No.:AA002WE0

2879-20-1 | 1,4-Benzodioxan-6-yl methyl ketone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$7.00   $5.00
- +
5g
98%
in stock  
$18.00   $13.00
- +
10g
98%
in stock  
$24.00   $17.00
- +
100g
98%
in stock  
$208.00   $146.00
- +
500g
98%
in stock  
$992.00   $695.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002WE0
Chemical Name:
1,4-Benzodioxan-6-yl methyl ketone
CAS Number:
2879-20-1
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00006823
SMILES:
CC(=O)c1ccc2c(c1)OCCO2
Properties
Properties
 
BP:
313.7°C at 760 mmHg  
Form:
Solid  
MP:
80-82 °C(lit.)  
Refractive Index:
1.5370 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
0.5  

Upstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,2015,vol.105,p.80-105

[1]Farmaco,1996,vol.51,#3,p.215-217

[2]EuropeanJournalofMedicinalChemistry,1997,vol.32,#6,p.529-534

[3]Tetrahedron,2007,vol.63,#2,p.474-491

[1]DRP/DRBPOrg.Chem.,

[2]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.21,p.693

[3]Patent:US1964973,1932,,

[4]TetrahedronLetters,1997,vol.38,#25,p.4459-4462

[1]JournaloftheChemicalSociety,1957,p.3445

[2]JournaloftheAmericanChemicalSociety,1949,vol.71,p.2050,2052

[3]JournaloftheAmericanChemicalSociety,1950,vol.72,p.3795

[4]Patent:US2383874,1942,,

[1]EuropeanJournalofMedicinalChemistry,2015,vol.105,p.80-105

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1949,vol.71,p.2050,2052    JournaloftheAmericanChemicalSociety,1950,vol.72,p.3795

[1]Patent:WO2004/26829,2004,A2.Locationinpatent:Page/Pagecolumn76-77

[2]JournaloftheChemicalSociety,1957,p.3445

[3]Patent:US2383874,1942,

[1]EuropeanJournalofMedicinalChemistry,2020,vol.193

[2]EuropeanJournalofMedicinalChemistry,2015,vol.105,p.80-105

[3]DRP/DRBPOrg.Chem.,    Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.21,p.693

[4]Patent:US2003/212094,2003,A1

[5]Tetrahedron,2013,vol.69,p.6392-6398

[6]JournalofEnzymeInhibitionandMedicinalChemistry,2014,vol.29,p.846-867

[7]ChemMedChem,2018,vol.13,p.37-47

[8]Patent:WO2019/219517,2019,A1.Locationinpatent:Page/Pagecolumn128-129

[1]JournaloftheChemicalSociety.PerkintransactionsI,1991,p.3127-3135

[1]Arzneimittel-Forschung/DrugResearch,1986,vol.36,p.1391-1393

Literature

Title: (E)-3-(2-Chloro-6-methyl-3-quinol-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20100401

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Tags:2879-20-1 Molecular Formula|2879-20-1 MDL|2879-20-1 SMILES|2879-20-1 1,4-Benzodioxan-6-yl methyl ketone