tert-Butyl methyl(pyrimidin-2-yl)carbamate

Base Information

• Chemical Name: tert-Butyl methyl(pyrimidin-2-yl)carbamate
• CAS No.: 436161-78-3
• Molecular Formula: C10H15N3O2
• Molecular Weight: 209.245
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00450900
• Nikkaji Number: J1.765.934K
• Wikidata: Q82270734
• Mol file: 436161-78-3.mol

Synonyms:tert-Butyl methyl(pyrimidin-2-yl)carbamate;436161-78-3;tert-butyl N-methyl-N-pyrimidin-2-ylcarbamate;Pyrimidin-2-ylmethyl-carbamic acid tert-butyl ester;DTXSID00450900;SB60253;tert-Butylmethyl(pyrimidin-2-yl)carbamate;Methyl(pyrimidine-2-yl)carbamic acid tert-butyl ester

Chemical Property of tert-Butyl methyl(pyrimidin-2-yl)carbamate

Chemical Property:

• Boiling Point: 295.0±23.0 °C(Predicted)
• PKA: 1.69±0.10(Predicted)
• PSA: 55.32000
• Density: 1.140±0.06 g/cm3(Predicted)
• LogP: 1.84790
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 209.116426730
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

≥99% ^*data from raw suppliers

tert-Butylmethyl(pyrimidin-2-yl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(C)C1=NC=CC=N1

Technology Process of tert-Butyl methyl(pyrimidin-2-yl)carbamate

There total 2 articles about tert-Butyl methyl(pyrimidin-2-yl)carbamate 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: 40.0%

1,1-dimethylethyl 2-pyrimidyl carbamate (264600-81-9) + methyl iodide (74-88-4) → tert-butyl N-methyl-N-(2-pyrimidyl)carbamate (436161-78-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 0.5h;

DOI:10.1021/jo025554u

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl N-methyl-N-(2-pyrimidyl)carbamate (436161-78-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 51 percent / 2-methyl-propan-2-ol / 48 h / 20 °C

2: 40 percent / NaH / dimethylformamide / 0.5 h

With sodium hydride; In N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1021/jo025554u

upstream raw materials:

1,1-dimethylethyl 2-pyrimidyl carbamate

methyl iodide

di-tert-butyl dicarbonate