63460-32-2

Basic information

• Product Name: O,N,N'-Triisopropylisourea
• Synonyms: O,N,N'-Triisopropylisourea;Carbamimidic acid, N,N'-bis(1-methylethyl)-, 1-methylethyl ester
• CAS NO: 63460-32-2
• Molecular Formula: C₁₀H₂₂N₂O
• Molecular Weight: 186.29448
• EINECS: -0
• Mol File: 63460-32-2.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 67°C/10mmHg(lit.)
• Appearance: /
• Refractive Index: 1.4270 to 1.4310
• CAS DataBase Reference: O,N,N'-Triisopropylisourea(CAS DataBase Reference)
• NIST Chemistry Reference: O,N,N'-Triisopropylisourea(63460-32-2)
• EPA Substance Registry System: O,N,N'-Triisopropylisourea(63460-32-2)

Safety Data

• Hazardous Substances Data: 63460-32-2(Hazardous Substances Data)

Upstream product

• 67-63-0 isopropyl alcohol 
• 693-13-0 diisopropyl-carbodiimide 

Downstream Products

• 123342-05-2 methyl 4-bromo-3-(1-methylethoxy)-5-phenyl-2-thiophenecarboxylate 

Relevant articles and documents

Metal-Free and Alkali-Metal-Catalyzed Synthesis of Isoureas from Alcohols and Carbodiimides

The first addition of alcohols to carbodiimides catalyzed by transition-metal-free compounds employs 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) and its alkali metal salts. Isoureas are obtained in short reaction times and high yields when TBDK is used as the catalyst. Control of the coordination sphere of potassium with exogenous chelating ligands, in combination with mechanistic DFT calculations, demonstrated the role and positive influence of the alkali-metal cation on the kinetics.

Synthetic method for isourea catalyzed by rare-earth compound

The invention relates to a synthetic method for isourea catalyzed by a rare-earth compound. The synthetic method comprises the following steps: (1) enabling carbodiimide which is as shown in a formula (1) and alcohol which is as shown in a formula (2) to react at 25 to 60 DEG C under the catalytic action of rare earth amine to obtain the isourea, wherein the structural formulae of the formula (1) and the formula (2) are as shown in the description, wherein R1 and R2 are independently selected from C3-C8 alkyls or aryls; R3 is C1-C3 alkyls or substituted benzyls, wherein the substituted benzyls are the benzyls which contain a methyl, a naphthyl, a halogen or a pyridine ring; the rare earth amine is one of lanthanum tris[N,N-bis(trimethylsilane)amide], neodymium tris[N,N-bis(trimethylsilane)amide], samarium tris[N,N-bis(trimethylsilane)amide] or ytterbium tris[N,N-bis(trimethylsilane)amide]. According to the method, raw materials are easily obtained; the operation is simple and convenient; conditions of an application method are mild; the yield is high; the substrate application range is wide.

A novel synthesis of 2-alkylthiobenzothiazoles and 2-alkylthiobenzoxazoles

3H-Benzothiazole-2-thione and 3H-benzoxazole-2-thione were selectively S-alkylated by use of O-alkylisoureas as the alkylating reagents. The reactions could be performed under mild reaction conditions in short reaction times, and high yields were obtained using O-primary-alkylisoureas, whereas low yields were obtained with sec-and tert-alkylisoureas.