2-Pyrimidinamine, 1,4,5,6-tetrahydro-5-phenyl-, sulfate (2:1)

Base Information

• Chemical Name: 2-Pyrimidinamine, 1,4,5,6-tetrahydro-5-phenyl-, sulfate (2:1)
• CAS No.: 78534-19-7
• Molecular Formula: 2C₁₀H₁₃N₃*H₂O₄S
• Molecular Weight: 448.546
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50229148
• Mol file: 78534-19-7.mol

Synonyms:78534-19-7;2-Pyrimidinamine, 1,4,5,6-tetrahydro-5-phenyl-, sulfate (2:1);1,4,5,6-Tetrahydro-5-phenyl-2-pyrimidinamine sulfate (2:1);2-Amino-5-phenyl-1,4,5,6-tetrahydropyrimidine hemisulfate;C20H26N6.H2O4S;DTXSID50229148;C20-H26-N6.H2-O4-S;LS-134505;1,4,5,6-Tetrahydro-5-phenyl-2-pyrimidinamine sulfate(2:1)

Chemical Property of 2-Pyrimidinamine, 1,4,5,6-tetrahydro-5-phenyl-, sulfate (2:1)

Chemical Property:

• Vapor Pressure: 0.000201mmHg at 25°C
• Boiling Point: 327.5°C at 760 mmHg
• Flash Point: 151.9°C
• PSA: 183.80000
• LogP: 2.73360
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 448.18927457
• Heavy Atom Count: 31
• Complexity: 276

Purity/Quality:

1,4,5,6-TETRAHYDRO-5-PHENYL-2-PYRIMIDINAMINE SULFATE (2:1) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(CN=C(N1)N)C2=CC=CC=C2.C1C(CN=C(N1)N)C2=CC=CC=C2.OS(=O)(=O)O

Technology Process of 2-Pyrimidinamine, 1,4,5,6-tetrahydro-5-phenyl-, sulfate (2:1)

There total 1 articles about 2-Pyrimidinamine, 1,4,5,6-tetrahydro-5-phenyl-, sulfate (2:1) 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: 46.0%

1,3-diamino-2-phenylpropane (55165-09-8) + S-Methylisothiourea sulfate (867-44-7,147895-43-0) → 2-amino-5-phenyl-1,4,5,6-tetrahydropyrimidine hemisulfate (78534-19-7)

Guidance literature:

at 240 - 265 ℃;

DOI:10.1021/jm00383a002

upstream raw materials:

1,3-diamino-2-phenylpropane

S-Methylisothiourea sulfate