5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-1H-pyrimidin-4-one dihydrochloride

Base Information

• Chemical Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-1H-pyrimidin-4-one dihydrochloride
• CAS No.: 63204-23-9
• Molecular Formula: C19H21 N5 O3 S . 2 Cl H
• Molecular Weight: 472.395
• Mol file: 63204-23-9.mol

Synonyms:4(1H)-Pyrimidinone,5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-,dihydrochloride (9CI); Oxmetidine hydrochloride; SKF 92994A2

Chemical Property of 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-1H-pyrimidin-4-one dihydrochloride

Chemical Property:

• Vapor Pressure: 1.08E-19mmHg at 25°C
• Boiling Point: 697.3°C at 760 mmHg
• Flash Point: 375.5°C
• PSA: 133.71000
• LogP: 3.90440

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Antagonist (to histamine H2receptors).

Technology Process of 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-1H-pyrimidin-4-one dihydrochloride

There total 7 articles about 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-1H-pyrimidin-4-one dihydrochloride 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: 48.0%

5-Benzo[1,3]dioxol-5-ylmethyl-2-methylsulfanyl-1H-pyrimidin-4-one (63204-45-5) + 4-{[(2-aminoethyl)thio]methyl}-5-methylimidazole (38585-67-0) → Oxmetidine hydrochloride (63204-23-9)

Guidance literature:

at 140 - 150 ℃; for 5h;

DOI:10.1016/0223-5234(88)90167-5

Reference yield:

piperonal (120-57-0,30024-74-9) → Oxmetidine hydrochloride (63204-23-9)

Guidance literature:

Multi-step reaction with 5 steps

1: 1) piperidine, 2) conc. H₂SO₄ / 1) pyridine

2: hydrogen / 5percent Pd/C / ethanol

3: sodium wire / diethyl ether / 18 h / Ambient temperature

4: 1) NaOMe / 1) MeOH, reflux, 45 min, 2) MeOH, reflux, 18 h

5: ethanol / 24 h / Heating

With piperidine; sulfuric acid; hydrogen; sodium methylate; sodium; palladium on activated charcoal; In diethyl ether; ethanol;

DOI:10.1016/0223-5234(88)90167-5

Reference yield:

ethyl (E)-3-(benzo[d][1,3]dioxol-5-yl)acrylate (24393-66-6) → Oxmetidine hydrochloride (63204-23-9)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogen / 5percent Pd/C / ethanol

2: sodium wire / diethyl ether / 18 h / Ambient temperature

3: 1) NaOMe / 1) MeOH, reflux, 45 min, 2) MeOH, reflux, 18 h

4: ethanol / 24 h / Heating

With hydrogen; sodium methylate; sodium; palladium on activated charcoal; In diethyl ether; ethanol;

DOI:10.1016/0223-5234(88)90167-5

upstream raw materials:

5-Benzo[1,3]dioxol-5-ylmethyl-2-methylsulfanyl-1H-pyrimidin-4-one

4-{[(2-aminoethyl)thio]methyl}-5-methylimidazole

5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one

5-Benzo[1,3]dioxol-5-ylmethyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Refernces