Amisometradine

Base Information

• Chemical Name: Amisometradine
• CAS No.: 550-28-7
• Molecular Formula: C9H13 N3 O2
• Molecular Weight: 195.221
• Hs Code.: 2933599090
• European Community (EC) Number: 208-980-3
• NSC Number: 70479
• UNII: 30973N61ZF
• DSSTox Substance ID: DTXSID40203538
• Nikkaji Number: J6.711C
• Wikidata: Q27255937
• NCI Thesaurus Code: C76646
• ChEMBL ID: CHEMBL2105979
• Mol file: 550-28-7.mol

Synonyms:AMISOMETRADINE;550-28-7;Rolicton;Aminoisometradin;Aminoisometradine;Amisometradin;Amisometradina;Amisometradinum;Amisometradinum [INN-Latin];Amisometradina [INN-Spanish];Amisometradine [INN:BAN:NF];6-Amino-3-methyl-1-(2-methylallyl)-2,4(1H,3H)-pyrimidinedione;6-Amino-3-methyl-1-(2-methylallyl)uracil;EINECS 208-980-3;NSC 70479;NSC-70479;6-Amino-1-metallyl-3-methylpyrimidine-2,4-dione;6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;Amisometradine [INN:BAN];BRN 0182347;1-Methallyl-3-methyl-6-aminotetrahydropyrimidinedione;UNII-30973N61ZF;Uracil, 6-amino-3-methyl-1-(2-methylallyl)-;30973N61ZF;6-Amino-3-methyl-1-(2-methyl-2-propenyl)-2,4(1H,3H)-pyrimidinedione;2,4(1H,3H)-Pyrimidinedione, 6-amino-3-methyl-1-(2-methyl-2-propenyl)-;6-amino-3-methyl-1-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione;5-25-15-00393 (Beilstein Handbook Reference);Amisometradine [BAN:INN];AMISOMETRADINE [MI];AMISOMETRADINE [INN];SCHEMBL309300;CHEMBL2105979;DTXSID40203538;CHEBI:134852;NSC70479;AKOS006272017;WLN: T6NVNVJ A1Y1&U1 C1 FZ;LS-158551;EN300-208762;Q27255937;Z1198155480;6-Amino-3-methyl-1-(2-methylallyl)-2,3H)-pyrimidinedione;6-amino-3-methyl-1-(2-methyl-allyl)-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1-(2-methyl-allyl)-1H-pyrimidine-2,4dione;6-amino-3-methyl-1-(2-methyl-allyl)-lH-pyrimidine-2,4-dione;2,3H)-Pyrimidinedione, 6-amino-3-methyl-1-(2-methyl-2-propenyl)-

Chemical Property of Amisometradine

Chemical Property:

• Vapor Pressure: 0.00187mmHg at 25°C
• Melting Point: 175°
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 292.1°C at 760 mmHg
• PKA: 4.97±0.70(Predicted)
• Flash Point: 130.5°C
• PSA: 70.02000
• Density: 1.176g/cm³
• LogP: 0.28650
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 195.100776666
• Heavy Atom Count: 14
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Amisometradine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CN1C(=CC(=O)N(C1=O)C)N
• Uses: Amisometradine is an oral diuretic.
• Therapeutic Function: Diuretic

Technology Process of Amisometradine

There total 3 articles about Amisometradine 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:

methallyl-urea (89487-41-2) → amisometradine (550-28-7)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid anhydride

2: aq. NaOH solution

3: aq. NaOH solution; ethanol

With sodium hydroxide; ethanol; acetic anhydride;

DOI:10.1021/jo50006a010

Reference yield:

N-cyanoacetyl-N'-methallyl-urea (874517-48-3) → amisometradine (550-28-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

2: aq. NaOH solution; ethanol

With sodium hydroxide; ethanol;

DOI:10.1021/jo50006a010

Reference yield:

6-amino-1-methallyl-1H-pyrimidine-2,4-dione (366445-27-4) + dimethyl sulfate (77-78-1) → amisometradine (550-28-7)

Guidance literature:

With sodium hydroxide; ethanol;

DOI:10.1021/jo50006a010

upstream raw materials:

6-amino-1-methallyl-1H-pyrimidine-2,4-dione

dimethyl sulfate

methallyl-urea

N-cyanoacetyl-N'-methallyl-urea