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61699-62-5,MFCD00075125
Catalog No.:AA003IF3
61699-62-5 | 3,4-Diisopropoxy-3-cyclobutene-1,2-dione
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Purity
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Price(USD)
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1g
98%
in stock  
$22.00   $15.00
- +
5g
98%
in stock  
$72.00   $50.00
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25g
98%
in stock  
$286.00   $200.00
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100g
98%
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$1,016.00   $712.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IF3
Chemical Name:
3,4-Diisopropoxy-3-cyclobutene-1,2-dione
CAS Number:
61699-62-5
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
MDL Number:
MFCD00075125
IUPAC Name:
3,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C10H14O4/c1-5(2)13-9-7(11)8(12)10(9)14-6(3)4/h5-6H,1-4H3
InChI Key:
KCZPGGVPQXQGEJ-UHFFFAOYSA-N
SMILES:
CC(OC1=C(C(=O)C1=O)OC(C)C)C
Properties
Computed Properties
 
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
3,4-Diisopropoxy-3-cyclobutene-1,2-dione 
61699-62-5 
AC1L4APZ 
SCHEMBL734610 
CTK5B3596 
DTXSID50210692 
ZINC2545328 
ANW-33916 
CD-713 
MFCD00075125 
diisopropoxycyclobut-3-ene-1,2-dione 
AKOS015841691 
Diisopropyl squarate 
CHM0022695 
CS-W008387 
RP07256 
TRA0098227 
VZ25568 
AC-22928 
AJ-39295 
AN-39233 
BP-12425 
DS-12527 
3,4-Diisopropoxycyclobut-3-ene-1,2-dione 
OR322119 
3.4-diisopropoxy-3-cyclobutene-1,2-dione 
AB1010023 
AX8000254 
DB-028259 
TC-068748 
D2207 
FT-0640774 
Y9629 
3,4-Diisopropoxy-3-cyclobutene-1,2-dione, 99% 
3-Cyclobutene-1,2-dione, 3,4-diisopropoxy- 
699D625 
A833377 
C-09207 
3,4-Bis(1-methylethoxy)-3-cyclobutene-1,2-dione 
3,4-bis(1-methylethoxy)cyclobut-3-ene-1,2-dione 
3-Cyclobutene-1,2-dione,3,4-bis(1-methylethoxy)- 
I14-6682 
J-511207 
C10H14O4 
CID182314 
KCZPGGVPQXQGEJ-UHFFFAOYSA-N 
3,4-Diisopropoxy-3-cyclobutene-1,2-dione, 98% - 1G 1g 
3,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione 
AK-35867 
3-Cyclobutene-1,2-dione, 3,4-bis(1-methylethoxy)- 
ACMC-209mvi 
Literature

Title: A highly abbreviated synthesis of pentalenene by means of the squarate ester cascade.

Journal: Organic letters 20021212

Title: Applications of the squarate ester cascade to the expeditious synthesis of hypnophilin, coriolin, and ceratopicanol.

Journal: Journal of the American Chemical Society 20020807

Title: Squaric acid ester-based total synthesis of echinochrome A.

Journal: The Journal of organic chemistry 20020308

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