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, 1,1-Dimethylethyl N,N′-bis(1-methylethyl)carbamimidate, 2-Tert-Butyl-1,3-Diisopropylisourea, CarbaMiMidic acid, N,N'-bis(1-Methylethyl)-, 1,1-diMethylethyl ester, N,N′-Diisopropyl-O-tert-butylisourea, tert-Butyl N,N'-diisopropylcarbaMiMidate, tert-Butyl N,N′-dipropan-2-ylcarbamimidate
• CAS: 71432-55-8

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)

• Brand: TRC

Chemical properties

• Molecular weight: 200.32
• Formula: C₁₁H₂₄N₂O
• InChI: InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
• InChI key: InChIKey=DPJHZJGAGIWXTD-UHFFFAOYSA-N
• SMILES: CS(=O)(=O)c1ccc(F)cc1