N-tert-butyl-2-cyanoacetamide

Base Information

• Chemical Name: N-tert-butyl-2-cyanoacetamide
• CAS No.: 108168-88-3
• Molecular Formula: C7H12N2O
• Molecular Weight: 140.185
• Hs Code.: 2926909090
• Mol file: 108168-88-3.mol

Synonyms:N-tert-butyl-2-cyanoacetamide

Chemical Property of N-tert-butyl-2-cyanoacetamide

Chemical Property:

• Melting Point: 97 °C
• Boiling Point: 306.9±25.0 °C(Predicted)
• PKA: 5.69±0.10(Predicted)
• PSA: 52.89000
• Density: 0.977±0.06 g/cm3(Predicted)
• LogP: 1.20568
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

N-tert-Butyl-2-cyanoacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-tert-butyl-2-cyanoacetamide

There total 8 articles about N-tert-butyl-2-cyanoacetamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

malononitrile (109-77-3) + tert-butyl alcohol (75-65-0) → N-(tert-butyl)-2-cyanoacetamide (108168-88-3)

Guidance literature:

With silica supported sulfonic acid; for 5h; Reflux; Green chemistry;

DOI:10.1007/s11164-012-0828-y

Reference yield: 58.0%

5-(Bis-tert-butylamino-methylene)-2,2-dimethyl-[1,3]dioxane-4,6-dione (131297-21-7) → N-(tert-butyl)-2-cyanoacetamide (108168-88-3)

Guidance literature:

at 600 ℃; under 1E-05 - 0.0001 Torr;

DOI:10.1021/jo00003a014

Reference yield: 22.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + cyanomethyl bromide (590-17-0) → N-(tert-butyl)-2-cyanoacetamide (108168-88-3)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; {Au(dppm)}2Cl₂; water; sodium carbonate; In acetonitrile; for 16h; Sealed tube; Inert atmosphere; UV-irradiation;

DOI:10.1021/acs.joc.8b01380

upstream raw materials:

5-(Bis-tert-butylamino-methylene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

tert-butylamine

ethyl 2-cyanoacetate

acetonitrile