3-Allyl-1-methyl-2-thioxoimidazolidin-4-one

Base Information

• Chemical Name: 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
• CAS No.: 97403-83-3
• Molecular Formula: C7H10 N2 O S
• Molecular Weight: 170.235
• Hs Code.: 2933990090
• European Community (EC) Number: 306-745-0
• UNII: DN2GRE3L3E
• DSSTox Substance ID: DTXSID30242936
• Nikkaji Number: J382.818B
• Wikidata: Q83126845
• Mol file: 97403-83-3.mol

Synonyms:3-Allyl-1-methyl-2-thioxoimidazolidin-4-one;97403-83-3;EINECS 306-745-0;DN2GRE3L3E;1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one;1-METHYL-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-ONE;1-methyl-3-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one;UNII-DN2GRE3L3E;DTXSID30242936;BBL040540;MFCD02602432;STK350633;AKOS000313269;CS-0240910;EN300-230560;1-Methyl-3-(2-propenyl)-2-thioxo-4-imidazolidinone;1-Methyl-3-(2-propen-1-yl)-2-thioxo-4-imidazolidinone;4-Imidazolidinone, 1-methyl-3-(2-propen-1-yl)-2-thioxo-

Chemical Property of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one

Chemical Property:

• Vapor Pressure: 0.0992mmHg at 25°C
• Boiling Point: 222.9°Cat760mmHg
• Flash Point: 88.6°C
• PSA: 55.64000
• Density: 1.24g/cm³
• LogP: 0.10710
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.05138412
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

Min98% HPLC ^*data from raw suppliers

3-ALLYL-1-METHYL-2-THIOXOIMIDAZOLIDIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(=O)N(C1=S)CC=C

Technology Process of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one

There total 1 articles about 3-Allyl-1-methyl-2-thioxoimidazolidin-4-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: 80.0%

sarcosine (107-97-1,25951-24-0) + N-allyl isothiocyanate (57-06-7,58391-87-0) → 3-allyl-1-methyl-2-thiohydantoin (97403-83-3)

Guidance literature:

In ethanol; at 120 - 125 ℃; for 0.2h; under 1875.15 - 2625.21 Torr; Microwave irradiation;

DOI:10.3987/com-02-9452

Reference yield: 92.0%

benzaldehyde (100-52-7) + 3-allyl-1-methyl-2-thiohydantoin (97403-83-3) → 3-allyl-1-methyl-5-[(E)-1-phenylmethylidene]-2-thioxoimidazolidin-4-one (354119-58-7)

Guidance literature:

With morpholine; In ethanol; at 150 - 155 ℃; for 0.2h; under 2625.21 - 3750.3 Torr; Microwave irradiation;

DOI:10.3987/com-02-9452

Reference yield: 92.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) + 3-allyl-1-methyl-2-thiohydantoin (97403-83-3) → 3-allyl-5-((E)-3,4,5-trimethoxybenzylidene)-1-methyl-2-thiohydantoin

Guidance literature:

With morpholine; In ethanol; at 40 - 50 ℃; for 12h;

DOI:10.3987/com-02-9452

upstream raw materials:

sarcosine

N-allyl isothiocyanate

Downstream raw materials:

3-allyl-1-methyl-5-[(E)-1-phenylmethylidene]-2-thioxoimidazolidin-4-one