1-tert-Butyl-2-imidazolidinone

Base Information

• Chemical Name: 1-tert-Butyl-2-imidazolidinone
• CAS No.: 92075-16-6
• Molecular Formula: C7H14 N2 O
• Molecular Weight: 142.201
• Hs Code.: 2933299090
• DSSTox Substance ID: DTXSID90383596
• Nikkaji Number: J2.588.592I
• Wikidata: Q82175377
• Mol file: 92075-16-6.mol

Synonyms:1-tert-Butyl-2-imidazolidinone;92075-16-6;1-tert-butylimidazolidin-2-one;1-(tert-butyl)imidazolidin-2-one;tert-butyl imidazolidinone;SCHEMBL507511;1-tert-butyl-imidazolidin-2-one;1-tert-Butylimidazolidine-2-one;DTXSID90383596;VNXBETOLLOJKCA-UHFFFAOYSA-N;MFCD00832245;AKOS006223482;AS-76043;CS-0139907;FT-0608306;D92989

Chemical Property of 1-tert-Butyl-2-imidazolidinone

Chemical Property:

• Vapor Pressure: 0.00266mmHg at 25°C
• Melting Point: 136-138°C
• Refractive Index: 1.475
• Boiling Point: 286.3°Cat760mmHg
• Flash Point: 126.9°C
• PSA: 32.34000
• Density: 1.026g/cm³
• LogP: 1.07680
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

1-TERT-BUTYL-2-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)N1CCNC1=O

Technology Process of 1-tert-Butyl-2-imidazolidinone

There total 4 articles about 1-tert-Butyl-2-imidazolidinone 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%

imidazolidone (120-93-4) + tert-butyl alcohol (75-65-0) → 1-(tert-butyl)imidazolidin-2-one (92075-16-6)

Guidance literature:

With sulfuric acid; at 20 ℃; for 1h;

Reference yield: 75.0%

1-(tert-butyl)-3-(2-chloroethyl)urea (13908-02-6) → 1-(tert-butyl)imidazolidin-2-one (92075-16-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 65 ℃; for 1h;

Reference yield: 13.0%

2-chloroethyl isothiocyanate (1943-83-5) + tert-butylamine (75-64-9) → 1-(tert-butyl)imidazolidin-2-one (92075-16-6)

Guidance literature:

2-chloroethyl isothiocyanate; tert-butylamine; In tetrahydrofuran; at -20 - 20 ℃;

With sodium hydride; In tetrahydrofuran; at 65 ℃; Inert atmosphere;

upstream raw materials:

imidazolidone

tert-butyl alcohol

1-tert-butyl-1,3-dihydro-2H-imidazol-2-one

1-(tert-butyl)-3-(2-chloroethyl)urea

Downstream raw materials:

1-tert-butyl-3-[4-(methylsulfanyl)phenyl]imidazolidin-2-one

1-tert-butyl-3-(4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)imidazolidin-2-one

C₁₄H₂₁N₃O₂