Cas no 28131-24-0 (Carbamic acid, methylphenyl-, 1,1-dimethylethyl ester)

Carbamic acid, methylphenyl-, 1,1-dimethylethyl ester is a chemical compound commonly used as a protective group or intermediate in organic synthesis. Its tert-butyl ester moiety provides stability under various reaction conditions, making it suitable for selective deprotection strategies. The methylphenyl substitution enhances its solubility in organic solvents, facilitating handling in synthetic applications. This compound is particularly valuable in peptide and pharmaceutical chemistry, where controlled reactivity and mild deprotection methods are required. Its structural features allow for efficient incorporation into complex molecular frameworks while minimizing side reactions. The ester's robustness under acidic and basic conditions further expands its utility in multi-step synthetic pathways.
Carbamic acid, methylphenyl-, 1,1-dimethylethyl ester structure
28131-24-0 structure
Product Name:Carbamic acid, methylphenyl-, 1,1-dimethylethyl ester
CAS No:28131-24-0
MF:C12H17NO2
MW:207.268883466721
CID:1433814
PubChem ID:14267491
Update Time:2025-05-23

Carbamic acid, methylphenyl-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, methylphenyl-, 1,1-dimethylethyl ester
    • N-(tert-butoxycarbonyl)-N-methylaniline
    • tert-Butyl methyl(phenyl)carbamate
    • TERT-BUTYL N-METHYL-N-PHENYLCARBAMATE
    • AKOS013099770
    • Methylphenyl(tert-butoxycarbonyl)amine
    • SCHEMBL7200107
    • EN300-6762299
    • G31215
    • 28131-24-0
    • Inchi: 1S/C12H17NO2/c1-12(2,3)15-11(14)13(4)10-8-6-5-7-9-10/h5-9H,1-4H3
    • InChI Key: CKLRWXBZOPUEIE-UHFFFAOYSA-N
    • SMILES: O(C(N(C)C1C=CC=CC=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 207.12601
  • Monoisotopic Mass: 207.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 214
  • 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: 2.7
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.54

Carbamic acid, methylphenyl-, 1,1-dimethylethyl ester Pricemore >>

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