Cas no 92828-40-5 (2-(tert-Butoxycarbonyl)malonic acid dimethyl ester)

2-(tert-Butoxycarbonyl)malonic acid dimethyl ester is a versatile intermediate in organic synthesis, particularly valued for its role in peptide and heterocycle chemistry. The tert-butoxycarbonyl (Boc) protecting group enhances stability under various reaction conditions while allowing selective deprotection under acidic conditions. The malonic ester moiety provides reactivity for nucleophilic substitutions, condensations, and decarboxylation reactions, making it useful for constructing complex molecular frameworks. Its dimethyl ester form improves solubility in organic solvents, facilitating handling in synthetic workflows. This compound is particularly advantageous in multistep syntheses where orthogonal protection strategies are required. Its reliability and predictable reactivity make it a preferred choice for pharmaceutical and fine chemical applications.
2-(tert-Butoxycarbonyl)malonic acid dimethyl ester structure
92828-40-5 structure
Product Name:2-(tert-Butoxycarbonyl)malonic acid dimethyl ester
CAS No:92828-40-5
MF:C11H18O6
MW:246.257024288177
CID:61584
PubChem ID:13655008
Update Time:2025-10-22

2-(tert-Butoxycarbonyl)malonic acid dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butoxycarbonyl)malonic acid dimethyl ester
    • 1,1,2-ETHANETRICARBOXYLIC ACID, 2-(1,1-DIMETHYLETHYL)1,1-DIMETHYL ESTER
    • 1,1,2-Ethanetricarbo
    • TERT-BUTYLOXYCARBOXYLMETHYLMALONATE
    • 2-(tert-Butyl) 1,1-dimethyl ethane-1,1,2-tricarboxylate
    • 2-O-tert-butyl 1-O,1-O-dimethyl ethane-1,1,2-tricarboxylate
    • 92828-40-5
    • 1,1,2-Ethanetricarboxylic acid,2-(1,1-dimethylethyl)1,1-dimethylester
    • MDL： MFCD09751206
    • Inchi： 1S/C11H18O6/c1-11(2,3)17-8(12)6-7(9(13)15-4)10(14)16-5/h7H,6H2,1-5H3
    • InChI Key： CNMLOQHPXARKOA-UHFFFAOYSA-N
    • SMILES： O(C(CC(C(=O)OC)C(=O)OC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 246.11000
  • Monoisotopic Mass: 246.11033829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 8
  • Complexity: 286
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 78.9?2

Experimental Properties

  • PSA: 78.90000
  • LogP: 0.68040

2-(tert-Butoxycarbonyl)malonic acid dimethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A449000037-250mg
2-(tert-Butyl) 1,1-dimethyl ethane-1,1,2-tricarboxylate
 92828-40-5 98%
250mg
 $680.00 2023-08-31
Alichem
A449000037-500mg
2-(tert-Butyl) 1,1-dimethyl ethane-1,1,2-tricarboxylate
 92828-40-5 98%
500mg
 $980.00 2023-08-31
Alichem
A449000037-1g
2-(tert-Butyl) 1,1-dimethyl ethane-1,1,2-tricarboxylate
 92828-40-5 98%
1g
 $1685.00 2023-08-31

2-(tert-Butoxycarbonyl)malonic acid dimethyl ester Related Literature

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