Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester
• CAS No.: 400899-84-5
• Molecular Formula: C₁₂H₂₁NO₃
• Molecular Weight: 227.304
• Hs Code.: 2924299090
• Mol file: 400899-84-5.mol

Synonyms:2-Methyl-2-propanyl methyl(4-oxocyclohexyl)carbamate;tert-Butyl methyl(4-oxocyclohexyl)carbamate;

Chemical Property of Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester

Chemical Property:

• Vapor Pressure: 0.000407mmHg at 25°C
• Refractive Index: 1.48
• Boiling Point: 316.6 °C at 760 mmHg
• PKA: -1.45±0.20(Predicted)
• Flash Point: 145.3 °C
• PSA: 46.61000
• Density: 1.05 g/cm³
• LogP: 2.36500
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

tert-ButylMethyl(4-oxocyclohexyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester

There total 2 articles about Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester 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:

di-tert-butyl dicarbonate (24424-99-5) + 4-methylaminocyclohekxanone (2976-84-3) → tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate (400899-84-5)

Guidance literature:

In dichloromethane; for 2h;

Reference yield:

cyclohexanedione monoethylene ketal (4746-97-8) → tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate (400899-84-5)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; hydrogen / palladium 10% on activated carbon / methanol / 2 h / 20 °C / 2585.81 Torr

2: dichloromethane / 2 h

With hydrogen; triethylamine; palladium 10% on activated carbon; In methanol; dichloromethane;

Reference yield: 96.0%

tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate (400899-84-5) + Methyltriphenylphosphonium bromide (1779-49-3) → tert-butyl N-methyl-N-(4-methylenecyclohexyl)carbamate (1415813-02-3)

Guidance literature:

Methyltriphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; at -10 ℃; for 0.5h; Inert atmosphere;

tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate; In tetrahydrofuran; at -78 - 25 ℃; Inert atmosphere;

upstream raw materials:

cyclohexanedione monoethylene ketal

di-tert-butyl dicarbonate

4-methylaminocyclohekxanone

Downstream raw materials:

tert-butyl N-methyl-N-(4-methylenecyclohexyl)carbamate

Refernces