ethyl 3-(tert-butoxycarbonylaMino)-2,2-diMethylpropanoate

Base Information

• Chemical Name: ethyl 3-(tert-butoxycarbonylaMino)-2,2-diMethylpropanoate
• CAS No.: 204514-14-7
• Molecular Formula: C12H23NO4
• Molecular Weight: 245.31532
• Mol file: 204514-14-7.mol

Synonyms:ethyl 3-(tert-butoxycarbonylaMino)-2,2-diMethylpropanoate;3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethylPropanoic acid ethyl ester

Chemical Property of ethyl 3-(tert-butoxycarbonylaMino)-2,2-diMethylpropanoate

Chemical Property:

• Boiling Point: 329.6±25.0 °C(Predicted)
• PKA: 12.13±0.46(Predicted)
• PSA: 68.12000
• Density: 1.011±0.06 g/cm3(Predicted)
• LogP: 2.30480

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-((tert-butoxycarbonyl)amino)-2,2-dimethylpropanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ethyl 3-(tert-butoxycarbonylaMino)-2,2-diMethylpropanoate

There total 6 articles about ethyl 3-(tert-butoxycarbonylaMino)-2,2-diMethylpropanoate 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-amino-2,2-dimethylpropionic acid ethyl ester hydrochloride (80253-38-9) → ethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (204514-14-7)

Guidance literature:

With triethylamine; pentane; In dichloromethane; at 0 - 23 ℃; for 20h;

Reference yield: 93.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-((tert-butoxycarbonyl)(methyl)amino)-2,2-dimethylpropanoic acid → ethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (204514-14-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

Reference yield:

2-cyano-2-methyl-propionic acid ethyl ester (1572-98-1) → ethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (204514-14-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 5 percent Rh/Al₂O₃

With hydrogen; Rh/Al₂O₃; 1: Reduction / 2: Acylation;

DOI:10.1016/S0960-894X(00)00174-8

upstream raw materials:

3-amino-2,2-dimethylpropionic acid ethyl ester

di-tert-butyl dicarbonate

2-cyano-2-methyl-propionic acid ethyl ester

3-amino-2,2-dimethylpropionic acid ethyl ester hydrochloride

Downstream raw materials:

3-(tert-Butoxycarbonyl)amino-2,2-dimethylpropanoic Acid