1-(4-methoxyphenyl)-2-tetrahydro-2(1H)-pyrimidinylideneethanone

Base Information

• Chemical Name: 1-(4-methoxyphenyl)-2-tetrahydro-2(1H)-pyrimidinylideneethanone
• CAS No.: 107165-84-4
• Molecular Formula: C13H16N2O2
• Molecular Weight: 232.282
• NSC Number: 621672
• DSSTox Substance ID: DTXSID701167092
• Nikkaji Number: J436.324H
• Mol file: 107165-84-4.mol

Synonyms:107165-84-4;1-(4-methoxyphenyl)-2-tetrahydro-2(1H)-pyrimidinylideneethanone;2-(1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone;2-(4-Methoxyphenacylidene)hexahydropyrimidine;Ethanone, 1-(4-methoxyphenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)-;1-(4-Methoxyphenyl)-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one;NSC621672;DTXSID701167092;NSC-621672;AR-682/43286379;2-hexahydro-pyrimidin-2-ylidene-1-(4-methoxyphenyl)-ethanone;1-(4-Methoxyphenyl)-2-(tetrahydro-2(1H)-pyrimidinylidene)ethanone;1-(4-Methoxyphenyl)-2-(tetrahydropyrimidin-2(1H)-ylidene)ethanone, 97%

Chemical Property of 1-(4-methoxyphenyl)-2-tetrahydro-2(1H)-pyrimidinylideneethanone

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.121177757
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C=C2NCCCN2

Technology Process of 1-(4-methoxyphenyl)-2-tetrahydro-2(1H)-pyrimidinylideneethanone

There total 3 articles about 1-(4-methoxyphenyl)-2-tetrahydro-2(1H)-pyrimidinylideneethanone 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: 65.0%

1-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)propenone (33868-76-7) + Trimethylenediamine (109-76-2,54018-94-9) → 1-(4-methoxyphenyl)-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one (107165-84-4)

Guidance literature:

In ethanol; for 15h; Heating;

Reference yield: 56.0%

3-(4-Methoxy-phenyl)-3-oxo-propionimidic acid ethyl ester; hydrochloride (112030-63-4) + Trimethylenediamine (109-76-2,54018-94-9) → 1-(4-methoxyphenyl)-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one (107165-84-4)

Guidance literature:

In ethanol; for 10h; Heating;

DOI:10.1055/s-1987-27942

Reference yield:

3-oxo-3-(4'-methoxyphenyl)propanenitrile (3672-47-7) → 1-(4-methoxyphenyl)-2-(tetrahydropyrimidin-2(1H)-ylidene)ethan-1-one (107165-84-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / HCl / CHCl₃ / 20 h

2: 56 percent / ethanol / 10 h / Heating

With hydrogenchloride; In ethanol; chloroform;

DOI:10.1055/s-1987-27942

upstream raw materials:

3-(4-Methoxy-phenyl)-3-oxo-propionimidic acid ethyl ester; hydrochloride

Trimethylenediamine

1-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)propenone

3-oxo-3-(4'-methoxyphenyl)propanenitrile

Downstream raw materials:

2-<(2,4-dinitrophenyl)(4-methoxybenzoyl)methylene>hexahydropyrimidine

9-(4-methoxybenzoyl)-1,2,3,4,7,8-hexahydropyrido<1,2-a>pyrimidin-6-one

3-(p-methoxybenzoyl)-4,5,6,7-tetrahydro<1,2,3>triazolo<1,5a>pyrimidine

1,5-bis(p-methoxyphenyl)-4-(2-tetrahydropyrimidinyl)-1,2,3-triazole