Ethyl N-tert-butylcarbamate

Base Information

• Chemical Name: Ethyl N-tert-butylcarbamate
• CAS No.: 1611-50-3
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• DSSTox Substance ID: DTXSID00400546
• Nikkaji Number: J245.885C
• Mol file: 1611-50-3.mol

Synonyms:Ethyl N-tert-butylcarbamate;1611-50-3;Ethyl tert-Butylcarbamate;Carbamic acid, N-(1,1-dimethylethyl)-, ethyl ester;t-butyl urethane;starbld0013233;ethyl N-tert.-butylcarbamate;SCHEMBL2757934;DTXSID00400546;CUICPJOPYVMUPK-UHFFFAOYSA-N;tert-Butylcarbamic acid ethyl ester;AC9360;MFCD01343063;AKOS003847559;SY262162

Chemical Property of Ethyl N-tert-butylcarbamate

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC(C)(C)C

Technology Process of Ethyl N-tert-butylcarbamate

There total 2 articles about Ethyl N-tert-butylcarbamate 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: 88.0%

2-phenylpyridine (1008-89-5) + N-t-butyl-3,3-bisethoxycarbonyl oxaziridine (104388-04-7,104388-05-8,107607-16-9) → ethyl N-tert-butylcarbamate (1611-50-3) + ethyl 2-(pyridin-2-yl)benzoate (28901-52-2)

Guidance literature:

With palladium dichloride; In chloroform; at 100 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol2021252

Reference yield:

2,3-dichloro-4-ethylsulphanylbenzoic acid (105917-73-5) → 2,3-dichloro-4-(ethylthio)aniline + ethyl N-tert-butylcarbamate (1611-50-3)

Guidance literature:

2,3-dichloro-4-ethylsulphanylbenzoic acid; With diphenylphosphoranyl azide; triethylamine; In tert-butyl alcohol; at 60 - 90 ℃; for 4h;

With trifluoroacetic acid; at 20 ℃; for 0.5h;

With sodium hydroxide; In water; pH=10 - 11;

Reference yield:

ethyl N-tert-butylcarbamate (1611-50-3) + ammonia (7664-41-7) → 1,1-dimethylethylurea (1118-12-3) + tert-butylamine (75-64-9) + urea (57-13-6) + urethane (51-79-6)

Guidance literature:

at 180 ℃;

upstream raw materials:

2,3-dichloro-4-ethylsulphanylbenzoic acid

2-phenylpyridine

N-t-butyl-3,3-bisethoxycarbonyl oxaziridine

Downstream raw materials:

1,1-dimethylethylurea

Tert-butyl isocyanate

N-methyl-tert-butylamine

tert-butylamine

Refernces

• 1、 -. "Substituted N-phenyl 2-hydroxy-2-methyl-3,3,3-trifluoropropanamide derivatives which elevate pyruvate dehydrogenase activity". Page column 48. . Retrieved 2010/02/05.