(2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one

Base Information

• Chemical Name: (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one
• CAS No.: 101055-56-5
• Molecular Formula: C15H20 N2 O2
• Molecular Weight: 260.336
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40350798
• Nikkaji Number: J860.792C
• Wikidata: Q82126902
• Mol file: 101055-56-5.mol

Synonyms:101055-56-5;(2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one;(S)-1-Benzoyl-2-(tert-butyl)-3-methylimidazolidin-4-one;4-Imidazolidinone, 1-benzoyl-2-(1,1-dimethylethyl)-3-methyl-, (2S)-;(2S)-(+)-1-BENZOYL-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE;SCHEMBL8238415;DTXSID40350798;4-IMidazolidinone,1-benzoyl-2-(1,1-diMethylethyl)-3-Methyl-,(2S)-;(S)-(+)-1-BENZOYL-2-TERT-BUTYL-3-METHYL- 4-IMIDAZOLIDINONE, 99% (99% EE/GLC)

Chemical Property of (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one

Chemical Property:

• Melting Point: 145-147 °C
• PSA: 40.62000
• LogP: 1.84880
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 260.152477885
• Heavy Atom Count: 19
• Complexity: 367

Purity/Quality:

≥95% ^*data from raw suppliers

(2S)-(+)-1-BENZOYL-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1N(C(=O)CN1C(=O)C2=CC=CC=C2)C
• Isomeric SMILES: CC(C)(C)[C@H]1N(C(=O)CN1C(=O)C2=CC=CC=C2)C

Technology Process of (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one

There total 10 articles about (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-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: 77.0%

(S)-1-benzoyl-2-tert-butyl-3(H)-1,3-imidazolidin-4-one (137348-69-7) + dimethyl sulfate (77-78-1) → (2S)-1-benzoyl-2-(1,1-dimethylethyl)-3-methyl-4-imidazolidinone (101055-56-5)

Guidance literature:

With sodium hydroxide; In acetonitrile; at 55 ℃; for 2h;

DOI:10.1016/S0957-4166(00)80465-6

Reference yield: 60.0%

benzoyl chloride (98-88-4) + (2R)-2-(tert-butyl)-3-methylimidazolidin-4-one (101143-56-0) → (2S)-1-benzoyl-2-(1,1-dimethylethyl)-3-methyl-4-imidazolidinone (101055-56-5)

Guidance literature:

With sodium hydroxide; In dichloromethane; at 0 ℃;

Reference yield:

2-N-(2,2'-dimethylpropyliden)amino-N'-(α-phenylethyl)acetamide (137348-64-2) → (2S)-1-benzoyl-2-(1,1-dimethylethyl)-3-methyl-4-imidazolidinone (101055-56-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 7 h / Heating

2: 41 percent / H₂, acetic acid / 20percent Pd/C / ethanol / 72 h / 50 - 60 °C / 18240 - 22800 Torr

3: 77 percent / NaOH / acetonitrile / 2 h / 55 °C

With sodium hydroxide; hydrogen; acetic acid; palladium on activated charcoal; In ethanol; acetonitrile;

DOI:10.1016/S0957-4166(00)80465-6

upstream raw materials:

benzoyl chloride

(2R)-2-(tert-butyl)-3-methylimidazolidin-4-one

(R)-2-t-butyl-3-methyl-4-imidazolidinone-(R)-mandelate

(S)-1-benzoyl-2-tert-butyl-3(H)-1,3-imidazolidin-4-one

Downstream raw materials:

(2S,5S)-1-benzoyl-2-t-butyl-5-(2-hydroxyethyl)-3-methyl-4-imidazolidinone

(2R,5S,1'R)-5-(benzoyloxy(4-pyridyl)methyl)-2-(tert-butyl)-3-methylimidazolidin-4-one

(2S,5S,1'R)-1-benzoyl-2-(tert-butyl)-5-((2-furanyl)hydroxymethyl)-3-methylimidazolidin-4-one

(2R,5S,1'R)-5-(1'-benzoyloxy-2',2',2'-trifluoroethyl)-2-(tert-butyl)-3-methylimidazolidin-4-one