Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, 1-methylethyl ester

Base Information

• Chemical Name: Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, 1-methylethyl ester
• CAS No.: 78533-65-0
• Molecular Formula: C₁₄H₁₉N₃O₂
• Molecular Weight: 261.324
• DSSTox Substance ID: DTXSID30229146
• ChEMBL ID: CHEMBL161327
• Mol file: 78533-65-0.mol

Synonyms:BRN 5574243;Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, 1-methylethyl ester;1-Methylethyl (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)carbamate;78533-65-0;CHEMBL161327;SCHEMBL11079313;DTXSID30229146;LS-50654

Chemical Property of Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, 1-methylethyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.2g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 261.147726857
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)NC1=NCC(CN1)C2=CC=CC=C2

Technology Process of Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, 1-methylethyl ester

There total 1 articles about Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, 1-methylethyl 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:

1,3-diamino-2-phenylpropane (55165-09-8) + C10H18N2O4S (58306-41-5) → 2-isopropoxycarbonylamino-5-phenyl-1,4,5,6-tetrahydropyrimidine (78533-65-0)

Guidance literature:

In methanol; for 1h; Heating;

DOI:10.1021/jm00383a002

upstream raw materials:

1,3-diamino-2-phenylpropane

C₁₀H₁₈N₂O₄S