2-tert-Butyl-1,3-diisopropylisourea

CAS: 71432-55-8

Ref. TR-B692565

Product Information

• Name: 2-tert-Butyl-1,3-diisopropylisourea
• Synonyms: N,N'-Bis(1-methylethyl)carbamimidic Acid 1,1-Dimethylethyl Ester, 2-tert-Butyl-1,3-diisopropylpseudourea, N,N'-Diisopropyl-O-tert-butylisourea, O-tert-Butyl-N,N'-diisopropylisourea, tert-Butyl N,N'-dipropan-2-ylcarbamimidate
• Brand: TRC
• Description: Applications 2-tert-Butyl-1,3-diisopropylisourea is a useful synthetic intermediate in the synthesis of 5-Oxo Atorvastatin tert-Butyl Ester (O847160) which is a Boc-protected derivative of Atorvastatin (A791750, Ca Salt). 2-tert-Butyl-1,3-diisopropylisourea is also used as a reagent in the total synthesis of Citrafungin A which is an antifungal natural product.References Kearney, A.S., et al.: Pharm. Res., 10, 1461 (1993); Heinonen, T.M., et al.: Clin. Ther., 18, 853 (1996); Whitfield, L.R., et al.: Eur. J. Drug Metab. Pharmacokinet., 25, 97 (2000); Calo, F., et al.: J. Org. Chem., 73, 9692 (2008)

Chemical properties

• Molecular weight: 200.32
• Formula: C₁₁H₂₄N₂O
• Color/Form: Neat
• InChI: InChI=1S/C11H24N2O/c1-8(2)12-10(13-9(3)4)14-11(5,6)7/h8-9H,1-7H3,(H,12,13)
• InChI key: InChIKey=DPJHZJGAGIWXTD-UHFFFAOYSA-N
• SMILES: CS(=O)(=O)c1ccc(F)cc1