1-Benzylimidazolidin-2-one

Base Information

• Chemical Name: 1-Benzylimidazolidin-2-one
• CAS No.: 2385-38-8
• Molecular Formula: C10H12 N2 O
• Molecular Weight: 176.218
• Hs Code.: 2933990090
• European Community (EC) Number: 834-098-9
• NSC Number: 27578
• DSSTox Substance ID: DTXSID30282716
• Nikkaji Number: J1.752.375I,J1.989.744C
• Wikidata: Q82017063
• ChEMBL ID: CHEMBL597683
• Mol file: 2385-38-8.mol

Synonyms:1-Benzylimidazolidin-2-one;2385-38-8;1-(Phenylmethyl)-2-imidazolidinone;1-BENZYL-2-IMIDAZOLIDINONE;1-Benzyl-imidazolidin-2-one;NSC27578;benzyl imidazolidinone;ChemDiv3_012696;MLS000520928;SCHEMBL152680;CHEMBL597683;DTXSID30282716;IXNSPEIJKZNYLL-UHFFFAOYSA-N;HMS1509B02;HMS2452D12;MFCD03830183;NSC-27578;AKOS002138796;SD-8980;BS-36603;SMR000131337;CS-0217002;FT-0673799;EN300-657191;Z1201622519

Chemical Property of 1-Benzylimidazolidin-2-one

Chemical Property:

• Vapor Pressure: 8.81E-07mmHg at 25°C
• Melting Point: 128.5-129 °C
• Boiling Point: 405.4°Cat760mmHg
• PKA: 14.48±0.20(Predicted)
• Flash Point: 199°C
• PSA: 32.34000
• Density: 1.17g/cm³
• LogP: 1.47850
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

1-(Phenylmethyl)-2-imidazolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)N1)CC2=CC=CC=C2
• Uses: 1-(Phenylmethyl)-2-imidazolidinone (cas# 2385-38-8) is a compound useful in organic synthesis.

Technology Process of 1-Benzylimidazolidin-2-one

There total 15 articles about 1-Benzylimidazolidin-2-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: 86.0%

4-(trifluoromethoxy)benzonitrile (332-25-2) + N-benzylethylenediamine (4152-09-4) → 1-benzyl-2,3,4,5-tetrahydroimidazol-2-one (2385-38-8)

Guidance literature:

With 3,7-di([1,1′-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1002/chem.201804603

Reference yield: 71.0%

tert-butyl {2-[benzylamino]ethyl}carbamate (174799-52-1) → 1-benzyl-2,3,4,5-tetrahydroimidazol-2-one (2385-38-8)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 60 ℃; for 3h;

DOI:10.1016/j.bmc.2009.12.044

Reference yield: 62.0%

1,1'-carbonyldiimidazole (530-62-1) + N-benzylethylenediamine (4152-09-4) → 1-benzyl-2,3,4,5-tetrahydroimidazol-2-one (2385-38-8)

Guidance literature:

In tetrahydrofuran;

DOI:10.1002/anie.201915414

upstream raw materials:

(1-benzyl-4,5-dihydro-1H-imidazol-2-yl)-nitro-amine

1-benzyl-4,5-dihydroimidazole

di(p-tolyl) disulfide

diphenyldisulfane

Downstream raw materials:

{[4-(3-benzyl-2-oxo-imidazolidin-1-ylmethyl)-2-bromo-phenyl]-difluoro-methyl}-phosphonic acid diethyl ester

tert-butyl 2-(2oxo-3-benzylimidazolidinyl)acetate

1-benzylimidazolidine-2-thione

1-[(2E, 4E)-hexadienoyl]-3-benzyl-imidazolidin-2-one