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

Base Information

• Chemical Name: Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, ethyl ester
• CAS No.: 78533-62-7
• Molecular Formula: C₁₃H₁₇N₃O₂
• Molecular Weight: 247.297
• DSSTox Substance ID: DTXSID70229145
• ChEMBL ID: CHEMBL160117

Synonyms:78533-62-7;BRN 5753800;Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, ethyl ester;Ethyl (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)carbamate;Ethyl (5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate;CHEMBL160117;SCHEMBL11077063;DTXSID70229145;LS-50652

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.22g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 247.132076794
• Heavy Atom Count: 18
• Complexity: 311

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 1 articles about Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, ethyl 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-dicarbethoxy-S-methylisothiourea (34840-26-1) + 1,3-diamino-2-phenylpropane (55165-09-8) → 2-ethoxycarbonylamino-5-phenyl-1,4,5,6-tetrahydropyrimidine (78533-62-7)

Guidance literature:

In methanol; for 1h; Heating;

DOI:10.1021/jm00383a002

upstream raw materials:

1,3-dicarbethoxy-S-methylisothiourea

1,3-diamino-2-phenylpropane

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