5-(1,3-Benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-one

Base Information

• Chemical Name: 5-(1,3-Benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-one
• CAS No.: 6543-17-5
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• DSSTox Substance ID: DTXSID90425728

Synonyms:6543-17-5;5-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-one;5-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one;AC1OBJ12;DTXSID90425728;AKOS034455396;AB00709644-01;Z56792360

Chemical Property of 5-(1,3-Benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.26g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 454.18273264
• Heavy Atom Count: 33
• Complexity: 709

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Technology Process of 5-(1,3-Benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-one

There total 1 articles about 5-(1,3-Benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-one 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:

pentan-3-one (96-22-0) + trimethyleneglycol (504-63-2) → 2,2-diethyl-1,3-dioxane (6543-17-5)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 24h; Heating;

DOI:10.1021/jo8008269

Reference yield: 90.0%

2,2-diethyl-1,3-dioxane (6543-17-5) + Acetyl bromide (506-96-7) → 3-bromopropyl acetate (592-33-6) + pentan-3-one (96-22-0)

Guidance literature:

In benzene; at 40 ℃; for 72h;

DOI:10.1007/BF01120981

Reference yield: 53.0%

2,2-diethyl-1,3-dioxane (6543-17-5) + chloroacetyl chloride (79-04-9) → 3-chloropropyl 2-chloroacetate (62116-55-6) + pentan-3-one (96-22-0)

Guidance literature:

In benzene; at 40 ℃; for 168h;

DOI:10.1007/BF01120981

upstream raw materials:

pentan-3-one

trimethyleneglycol

Downstream raw materials:

3-bromopropyl acetate

pentan-3-one

3-chloropropyl 2-chloroacetate

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