Cas no 95932-40-4 (Carbonic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl1,1-dimethylethyl ester)

Carbonic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl1,1-dimethylethyl ester structure
95932-40-4 structure
Product Name:Carbonic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl1,1-dimethylethyl ester
CAS No:95932-40-4
MF:C16H22NO5
MW:308.349585056305
CID:751625
Update Time:2023-08-03

Carbonic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbonic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl1,1-dimethylethyl ester
    • [2-methyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propan-2-yl] carbonate
    • 1-{4-[(tert-Butoxycarbonyl)amino]phenyl}-2-methylpropan-2-yl carbonate
    • Inchi: 1S/C16H23NO5/c1-15(2,3)21-13(18)17-12-8-6-11(7-9-12)10-16(4,5)22-14(19)20/h6-9H,10H2,1-5H3,(H,17,18)(H,19,20)/p-1
    • InChI Key: QVZWEIMVWUURSM-UHFFFAOYSA-M
    • SMILES: O(C(=O)[O-])C(C)(C)CC1C=CC(=CC=1)NC(=O)OC(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 386
  • Topological Polar Surface Area: 87.7

Carbonic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl1,1-dimethylethyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Benzene ;  8 h, reflux
Reference
A novel tert-butoxycarbonylation reagent: 1-tert-butoxy-2-tert-butoxycarbonyl-1,2-dihydroisoquinoline (BBDI)
Saito, Yukako; Ouchi, Hidekazu; Takahata, Hiroki, Tetrahedron, 2006, 62(50), 11599-11607

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide Catalysts: Tetrabutylammonium hydrogen sulfate Solvents: Dichloromethane ,  Water
Reference
Phase transfer catalysis in the tert-butyloxycarbonylation of alcohols, phenols, enols, and thiols with di-tert-butyl dicarbonate
Houlihan, F.; Bouchard, F.; Frechet, J. M. J.; Willson, C. G., Canadian Journal of Chemistry, 1985, 63(1), 153-62

Carbonic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl1,1-dimethylethyl ester Raw materials

Carbonic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl1,1-dimethylethyl ester Preparation Products

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