1-Phenylimidazolidin-2-one

Base Information

• Chemical Name: 1-Phenylimidazolidin-2-one
• CAS No.: 1848-69-7
• Molecular Formula: C9H10N2O
• Molecular Weight: 162.191
• Hs Code.: 29349990
• European Community (EC) Number: 664-112-7
• NSC Number: 80633
• DSSTox Substance ID: DTXSID90292174
• Nikkaji Number: J101.441B
• Wikidata: Q72501978
• ChEMBL ID: CHEMBL1893121
• Mol file: 1848-69-7.mol

Synonyms:1-Phenylimidazolidin-2-one;1848-69-7;1-phenyl-imidazolidin-2-one;1-Phenyl-2-imidazolidinone;2-Imidazolidinone, 1-phenyl-;3-Phenyl-2-imidazolidinone;MLS002694410;MFCD02671066;2-Imidazolidinone,1-phenyl-;NSC80633;N-phenylimidazolidone;N-phenyl-imidazolidinone;phenyl imidazolin-2-one;1-phenylimidazolidine-2-one;NCIOpen2_000752;1-phenyl-2-oxo-imidazolidine;SCHEMBL146714;CHEMBL1893121;DTXSID90292174;HMS3089G12;NSC-80633;AKOS005257427;AB92358;PS-3080;1-Phenyl-2-imidazolidinone, AldrichCPR;SMR001560339;CS-0045323;FT-0691150;EN300-138401;3,5-Dichloro-4-hydroxypyridine-2-carboxylicacid;A921233;W-206327;F2147-0743;Z1201621797

Chemical Property of 1-Phenylimidazolidin-2-one

Chemical Property:

• Melting Point: 68 °C
• Refractive Index: 1.578
• PKA: 14?+-.0.20(Predicted)
• PSA: 32.34000
• Density: 1.188 g/cm³
• LogP: 1.61000
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Phenylimidazolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)N1)C2=CC=CC=C2

Technology Process of 1-Phenylimidazolidin-2-one

There total 31 articles about 1-Phenylimidazolidin-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: 98.0%

1-(2-chloroethyl)-3-phenylurea (7144-13-0) → 1-phenylimidazolidin-2-one (1848-69-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 25 ℃; for 5.5h; Cooling with ice; Inert atmosphere;

DOI:10.1021/jm200488a

Reference yield: 98.0%

ethyl N-<2-(phenylamino)ethyl>carbamate (86234-54-0) → 1-phenylimidazolidin-2-one (1848-69-7)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; dichloromethane; 5 deg C, then 24h reflux;

DOI:10.1016/S0040-4039(00)86102-X

Reference yield: 80.0%

bis(trichloromethyl) carbonate (32315-10-9) + N-(2-aminoethyl)benzeneamine (1664-40-0) → 1-phenylimidazolidin-2-one (1848-69-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 0.583333h; Inert atmosphere;

DOI:10.1021/jm200488a

upstream raw materials:

3-phenyl-oxazolidin-2-ylideneamine

ethanol

sodium ethanolate

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

Downstream raw materials:

2-oxo-3-phenylimidazolidine-1-carbonyl chloride

1-(octan-2-yl)-3-phenylimidazolidin-2-one

2-methoxyphenyl 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

2-ethoxyphenyl 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

Refernces

• 1、 Scott et al.. "-". . p. 183. Retrieved 1957.
• 2、 Daneshmand, Pargol,Ro?ca, Sorin-Claudiu,Dalhoff, Rosalie,Yin, Kejun,Dipucchio, Rebecca C.,Ivanovich, Ryan A.,Polat, Dilan E.,Beauchemin, André M.,Schafer, Laurel L.. "Cyclic Ureate Tantalum Catalyst for Preferential Hydroaminoalkylation with Aliphatic Amines: Mechanistic Insights into Substrate Controlled Reactivity". supporting information. p. 15740 - 15750. Retrieved 2020/10/18.
• 3、 -. "GROUP 5 METAL COMPLEXES FOR PRODUCING AMINE-FUNTIONALIZED POLYOLEFINS". Page/Page column 33. . Retrieved 2019/12/15.