(R)-(+)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone

Base Information

• Chemical Name: (R)-(+)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone
• CAS No.: 119838-44-7
• Molecular Formula: C13H24 N2 O3
• Molecular Weight: 256.34
• Hs Code.: 29332100
• DSSTox Substance ID: DTXSID70350802
• Nikkaji Number: J995.202K
• Wikidata: Q82126909
• Mol file: 119838-44-7.mol

Synonyms:119838-44-7;(R)-(+)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone;(R)-1-Boc-2-tert-butyl-3-methylimidazolidin-4-one;(R)-tert-Butyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate;tert-butyl (2R)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate;SCHEMBL4161364;DTXSID70350802;(R)-1-BOC-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE;MFCD00075100;AKOS015850710;CS-0338795;I11560;(R)-1-Boc-2-t-Butyl-3-methylimidazolidin-4-one;A804372;J-004209;(r)-(-)-1-boc-2-t-butyl-3-methyl-4-imidazolidinone;(R)-tert-Butyl2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate;Tert-butyl (R)-2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate;tert-butyl (2R)-2-tert-butyl-3-methyl-4-oxo-imidazolidine-1-carboxylate

Chemical Property of (R)-(+)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone

Chemical Property:

• Vapor Pressure: 3.15E-05mmHg at 25°C
• Melting Point: 68-70 °C(lit.)
• Refractive Index: 1.4365
• Boiling Point: 355.3°Cat760mmHg
• Flash Point: 168.7°C
• PSA: 49.85000
• Density: 1.064g/cm³
• LogP: 1.94350
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.17869263
• Heavy Atom Count: 18
• Complexity: 352

Purity/Quality:

97% ^*data from raw suppliers

(R)-1-Boc-2-tert-butyl-3-methylimidazolidin-4-one ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1N(C(=O)CN1C(=O)OC(C)(C)C)C
• Isomeric SMILES: CC(C)(C)[C@@H]1N(C(=O)CN1C(=O)OC(C)(C)C)C
• Uses: (R)-(+)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone is a chiral glycine derivative used for the synthesis of amino acids.

Technology Process of (R)-(+)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone

There total 1 articles about (R)-(+)-1-Boc-2-tert-butyl-3-methyl-4-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:

di-tert-butyl dicarbonate (24424-99-5) + (+/-)-2-(tert-butyl)-3-methylimidazolidin-4-one (101055-55-4) → tert-butoxycarbonyl-2-(tert-butyl)-3-methyl-4-oxo-1-imidazolidinecarboxylate (119838-44-7) + (2S)-1-(tert-butyloxycarbonyl)-2-tert-butyl-3-methylimidazolidin-4-one (119838-38-9)

Guidance literature:

di-tert-butyl dicarbonate; (+/-)-2-(tert-butyl)-3-methylimidazolidin-4-one;

With Daicel Chiralpak IC; In hexane; isopropyl alcohol; Resolution of racemate;

DOI:10.1055/s-0031-1289577

Reference yield: 95.0%

tert-butoxycarbonyl-2-(tert-butyl)-3-methyl-4-oxo-1-imidazolidinecarboxylate (119838-44-7) + diethyl <<3-bromo-5-(bromomethyl)phenyl>methyl>phosphonate (174575-03-2) → 1,1-dimethylethyl (2R,5R)-5-<<3-bromo-5-<(diethoxyphosphoryl)methyl>phenyl>methyl>-2-(1,1-dimethylethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate (174690-38-1)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -70 ℃; for 1.66667h;

DOI:10.1002/hlca.19950780810

Reference yield: 76.0%

tert-butoxycarbonyl-2-(tert-butyl)-3-methyl-4-oxo-1-imidazolidinecarboxylate (119838-44-7) + diethyl <<4-(acetyloxy)-5-(bromomethyl)(1,1'-biphenyl)-3-yl>methyl>phosphonate (174575-04-3) → 1,1-dimethylethyl (2R,5R)-5-<<4-(acetyloxy)-5-<(diethoxyphopsphoryl)methyl>(1,1'-biphenyl)-3-yl>methyl>-2-(1,1-dimethylethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate (174690-43-8)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -70 ℃;

DOI:10.1002/hlca.19950780810

upstream raw materials:

di-tert-butyl dicarbonate

(+/-)-2-(tert-butyl)-3-methylimidazolidin-4-one

Downstream raw materials:

(2R,5R)-2-(t-Butyl)-5-(3,4-dimethoxybenzyl)-3-methyl-5-(1-methylethyl)-4-oxo-1-imidazolidincarbonsaeure-t-butylester

C₂₀H₂₃⁽²⁾H₇N₂O₃

t-butyl (1'S,2R,5R)-2-(t-butyl)-3-methyl-5-<1'-methyl-3'-oxo-4',4',4'-triphenylbutyl>-4-oxo-1-imidazolidinecarboxylate

t-butyl (1'S,2R,5R)-2-(t-butyl)-3-methyl-4-oxo-5-<3'-oxo-1',4',4',4'-tetraphenylbutyl>-1-imidazolidinecarboxylate