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3779-29-1,MFCD00019261
Catalog No.:AA0034N4

3779-29-1 | Diethyl 1,1-cyclobutanedicarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$9.00   $7.00
- +
100g
98%
in stock  
$33.00   $23.00
- +
500g
98%
in stock  
$148.00   $103.00
- +
  • 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:
AA0034N4
Chemical Name:
Diethyl 1,1-cyclobutanedicarboxylate
CAS Number:
3779-29-1
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
MDL Number:
MFCD00019261
SMILES:
CCOC(=O)C1(CCC1)C(=O)OCC
NSC Number:
9017
Properties
Properties
 
BP:
104-105°C at 12 mmHg  
Form:
Liquid  
Refractive Index:
1.436  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
210  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
6  
XLogP3:
1.8  

Upstream Synthesis Route

[1]Patent:US2014/275080,2014,A1,

[1]JournalofMolecularStructure,1987,vol.162,p.321-332

[1]JournaloftheAmericanChemicalSociety,1969,vol.91,#23,p.6362-6366

[1]JournaloftheChemicalSociety,1887,vol.51,p.2

[2]JournalofMolecularStructure,1987,vol.162,p.321-332

[3]JournalofFluorineChemistry,2000,vol.102,#1-2,p.141-146

[1]Molecules,2016,vol.21,#5,

[2]JournalofOrganicChemistry,1993,vol.58,#27,p.7709-7717

[3]JournalofFluorineChemistry,2000,vol.102,#1-2,p.141-146

[4]JournalofOrganicChemistry,1949,vol.14,p.1036

[5]JournaloftheChemicalSociety,1887,vol.51,p.2

[6]BulletindelaSocieteChimiquedeFrance,1965,p.1881-1888

[7]CanadianJournalofChemistry,1980,vol.58,#21,p.2271-2277

[8]JournalofMolecularStructure,1987,vol.162,p.321-332

[9]BulletinoftheChemicalSocietyofJapan,1989,vol.62,#10,p.3187-3194

[10]AngewandteChemie,1996,vol.108,#18,p.2266-2268

[11]Chemistry-AEuropeanJournal,2012,vol.18,#51,p.16531-16539

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1969,vol.91,p.6362-6366

(4,4-Bis-ethoxycarbonyl-butyl)-diethyl-sulfonium;iodide 
  3779-29-1 

[1]TetrahedronLetters,1970,p.2437-2440

[1]JournalofMedicinalChemistry,2004,vol.47,p.5057-5068

[1]JournalofMedicinalChemistry,2004,vol.47,p.5057-5068

[1]JournalofMedicinalChemistry,2004,vol.47,p.5057-5068

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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