Tert-butyl N-propan-2-ylcarbamate

Base Information

• Chemical Name: Tert-butyl N-propan-2-ylcarbamate
• CAS No.: 51170-55-9
• Molecular Formula: C8H17NO2
• Molecular Weight: 159.228
• DSSTox Substance ID: DTXSID20408241
• Nikkaji Number: J406.008C
• Wikidata: Q82213634
• Mol file: 51170-55-9.mol

Synonyms:51170-55-9;tert-butyl N-(propan-2-yl)carbamate;Tert-butyl N-propan-2-ylcarbamate;TERT-BUTYL ISOPROPYLCARBAMATE;TERT-BUTYL N-ISOPROPYLCARBAMATE;MFCD02380471;isopropyl-carbamic acid tert-butyl ester;SCHEMBL10652;Carbamic acid, (1-methylethyl)-, 1,1-dimethylethyl ester;DTXSID20408241;JRFZNGUHKPPRHG-UHFFFAOYSA-N;TERT-BUTYLISOPROPYLCARBAMATE;t-Butyl N-(propan-2-yl)carbamate;BCA17055;AKOS013616963;AS-62387;CS-0038625;W12431;EN300-7071218;A828473;Z1220725142

Chemical Property of Tert-butyl N-propan-2-ylcarbamate

Chemical Property:

• Melting Point: 73 - 74°C
• PSA: 41.82000
• LogP: 2.12390
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly, Heated), Chloroform (Slightly), DMSO (Slightly, Heated)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

tert-ButylN-(Propan-2-yl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC(=O)OC(C)(C)C
• Uses: tert-Butyl N-(Propan-2-yl)carbamate is an intermediate in the synthesis of N-Ethyl-N-nitroso-2-propanamine (E932795), which is a building block used in synthesis of Amino Acids, Peptides, and Proteins.

Technology Process of Tert-butyl N-propan-2-ylcarbamate

There total 15 articles about Tert-butyl N-propan-2-ylcarbamate 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) + isopropylamine (75-31-0) → tert-butyl N-isopropylcarbamate (51170-55-9)

Guidance literature:

In PEG-400; at 20 ℃; for 0.166667h;

DOI:10.1246/cl.2010.1127

Reference yield: 98.0%

tert-butyl (3-cyano-4,6-dimethylpyridin-2-yl) carbonate + isopropylamine (75-31-0) → tert-butyl N-isopropylcarbamate (51170-55-9)

Guidance literature:

In ethanol; for 1h; Reflux;

DOI:10.1039/c9nj00885c

Reference yield: 96.0%

tert-butyl alcohol (75-65-0) + Isopropyl isocyanate (1795-48-8) → tert-butyl N-isopropylcarbamate (51170-55-9)

Guidance literature:

With hydrogenchloride; In dichloromethane; for 5h; Ambient temperature;

DOI:10.1055/s-1991-26575

upstream raw materials:

tert-butyl alcohol

Isopropyl isocyanate

1-t-butoxycarbonyl-v-triazolo<4,5-b>pyridine

isopropylamine

Downstream raw materials:

tert-butyl isopropyl(4-methoxybenzyl)carbamate

tert-butyl (S)-(3-((R)-4-benzyl-2-oxooxazolidin-3-yl)-2-(4-chlorophenyl)-3-oxopropyl)isopropylcarbamate

(S)-3-((tert-butoxycarbonyl)(isopropyl)amino)-2-(4-chlorophenyl)propionic acid

tert-butyl ((S)-2-(4-chlorophenyl)-3-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-oxopropyl)(isopropyl)carbamate