Carbamic acid, propyl-, 1,1-dimethylethyl ester (9CI)

Base Information

• Chemical Name: Carbamic acid, propyl-, 1,1-dimethylethyl ester (9CI)
• CAS No.: 105678-25-9
• Molecular Formula: C8H17 N O2
• Molecular Weight: 159.228
• Mol file: 105678-25-9.mol

Synonyms:Carbamicacid, propyl-, 1,1-dimethylethyl ester (9CI)

Chemical Property of Carbamic acid, propyl-, 1,1-dimethylethyl ester (9CI)

Chemical Property:

• PSA: 41.82000
• LogP: 2.12550

Purity/Quality:

98%min ^*data from raw suppliers

tert-ButylPropylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: tert-Butyl Propylcarbamate is an intermediate used in the synthesis of 2-Oxo-3-hydroxy-N-methyl-N-propyl D-Lysergamide-d3 (O856883), which is a labeled analogue of 2-Oxo-3-hydroxy-N-methyl-N-propyl D-Lysergamide (O856880), a major metabolite of Lysergamide (L487990) used as internal standard.

Technology Process of Carbamic acid, propyl-, 1,1-dimethylethyl ester (9CI)

There total 20 articles about Carbamic acid, propyl-, 1,1-dimethylethyl ester (9CI) 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: 97.0%

propylamine (107-10-8,42939-71-9) + tert-butyl pyridin-2-yl carbonate (89985-91-1) → propylcarbamic acid tert-butyl ester (105678-25-9)

Guidance literature:

In dichloromethane; for 0.25h; Ambient temperature;

DOI:10.1246/bcsj.58.3570

Reference yield: 96.0%

propylamine (107-10-8,42939-71-9) + di-tert-butyl dicarbonate (24424-99-5) → propylcarbamic acid tert-butyl ester (105678-25-9)

Guidance literature:

In neat (no solvent); at 80 ℃; for 0.166667h; chemoselective reaction; Green chemistry;

DOI:10.1007/s11164-016-2702-9

Reference yield: 94.0%

Propyl isocyanate (110-78-1) + tert-butyl alcohol (75-65-0) → propylcarbamic acid tert-butyl ester (105678-25-9)

Guidance literature:

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

DOI:10.1055/s-1991-26575

upstream raw materials:

propylamine

tert-butyl pyridin-2-yl carbonate

S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine

Propyl isocyanate

Downstream raw materials:

N-(tert-butyloxycarbonyl)-N',N'-[bis(2-pyridilmethyl)ethane-1,2-diamine]

t-butyl benzyl(propyl)carbamate

N-propanoyl-1,1-dimethylethyl carbamate

Refernces

• 1、 Viswanadham, Balaga,Mahomed, Abdul S.,Friedrich, Holger B.,Singh, Sooboo. "Efficient and expeditious chemoselective BOC protection of amines in catalyst and solvent-free media". . p. 1355 - 1363. Retrieved 2017/02/15.
• 2、 -. "PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS". Page/Page column 60; 61. . Retrieved 2017/04/11.