Phenyl pyrimidin-2-ylcarbamate

Base Information

• Chemical Name: Phenyl pyrimidin-2-ylcarbamate
• CAS No.: 6324-09-0
• Molecular Formula: C11H9 N3 O2
• Molecular Weight: 215.211
• Hs Code.: 2933599090
• NSC Number: 30090
• DSSTox Substance ID: DTXSID90283148
• Wikidata: Q82017613
• Mol file: 6324-09-0.mol

Synonyms:phenyl pyrimidin-2-ylcarbamate;6324-09-0;NSC30090;SCHEMBL896911;DTXSID90283148;WJHUPBKJLWZEAM-UHFFFAOYSA-N;NSC-30090;pyrimidin-2-yl-carbamic acid phenyl ester

Chemical Property of Phenyl pyrimidin-2-ylcarbamate

Chemical Property:

• PKA: 10.42±0.70(Predicted)
• PSA: 64.11000
• Density: 1.337g/cm³
• LogP: 2.16050
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.069476538
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)NC2=NC=CC=N2

Technology Process of Phenyl pyrimidin-2-ylcarbamate

There total 2 articles about Phenyl pyrimidin-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: 79.0%

2-aminopyrimidine (109-12-6) + phenyl chloroformate (1885-14-9) → phenyl pyrimidin-2-ylcarbamate (6324-09-0)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 5 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.bmc.2019.02.031

Reference yield:

→ phenyl pyrimidin-2-ylcarbamate (6324-09-0)

Guidance literature:

2-Aminopyrimidin, ClCO2Ph/aq.NaOH (40grad) oder sd.Benzol;

Reference yield: 68.0%

1-(3-phenyl-[1,2,4]thiadiazol-5-yl)piperazine (306935-14-8) + phenyl pyrimidin-2-ylcarbamate (6324-09-0) → 4-(3-phenyl-[1,2,4]thiadiazol-5-yl)-piperazine-1-carboxylic acid pyrimidin-2-ylamide

Guidance literature:

In dimethyl sulfoxide;

DOI:10.1016/j.bmcl.2008.07.081

upstream raw materials:

2-aminopyrimidine

phenyl chloroformate

Refernces

• 1、 -. "SUBSTITUTED AMINOTHIAZOLES". Paragraph 0167. . Retrieved 2018/03/25.
• 2、 -. "SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS". Paragraph 0438; 0439. . Retrieved 2015/06/10.