| Identification | Back Directory | [Name]
DIETHYL (BOC-AMINO)MALONATE | [CAS]
102831-44-7 | [Synonyms]
LABOTEST-BB LT00452467
Diethy (Boc-amino)malonate
DIETHYL (BOC-AMINO)MALONATE
Diethyl (Boc-aMino)Malonate,97%
Diethyl (Boc-amino)malonate 97%
(boc-amino)malonic acid diethyl ester
Diethyl (Boc-amino)malonate≥ 99% (GC)
Diethyl 2-aminomalonate, N-BOC protected
DIETHYL 2-[(TERT-BUTOXYCARBONYL)AMINO]MALONATE
DIETHYL 2-[N-(TERT-BUTOXYCARBONYL)AMINO]MALONATE
(Boc-amino)malonic acid diethyl ester, Diethyl 2-[N-(tert-butoxycarbonyl)amino]malonate
Diethyl 2-[(tert-butoxycarbonyl)amino]malonate, Diethyl 2-[(tert-butoxycarbonyl)amino]propane-1,3-dioate | [Molecular Formula]
C12H21NO6 | [MDL Number]
MFCD00239423 | [MOL File]
102831-44-7.mol | [Molecular Weight]
275.3 |
| Chemical Properties | Back Directory | [Appearance]
Colourless Oil | [Boiling point ]
218 °C(lit.)
| [density ]
1.079 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.438(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
-20°C Freezer | [solubility ]
Chloroform, Ethyl Acetate, Methanol | [form ]
Oil | [pka]
9.97±0.46(Predicted) | [color ]
Colourless | [BRN ]
5055305 | [Stability:]
Below-40C | [Major Application]
peptide synthesis | [InChI]
InChI=1S/C12H21NO6/c1-6-17-9(14)8(10(15)18-7-2)13-11(16)19-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16) | [InChIKey]
ULRLHEXGRUWQLQ-UHFFFAOYSA-N | [SMILES]
C(OCC)(=O)C(NC(OC(C)(C)C)=O)C(OCC)=O |
| Hazard Information | Back Directory | [Chemical Properties]
Colourless Oil | [Uses]
Diethyl (Boc-amino)malonate (cas# 102831-44-7) is a compound useful in organic synthesis. | [Synthesis]
Diethyl aminomalonate (17.5 g, 0.1 mol) and triethylamine (20 g, 0.2 mol) were dissolved in 250 mL of dichloromethane in a three-necked flask under ice bath conditions. Subsequently, di-tert-butyl dicarbonate (26 g, 0.12 mol) was slowly added. The reaction mixture was gradually brought to room temperature and stirred continuously at this temperature and the progress of the reaction was monitored by thin layer chromatography (TLC). After completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was extracted with dichloromethane (200 mL × 3). The organic phases were combined, dried with anhydrous magnesium sulfate, and concentrated to give 27 g of the colorless oily product diethyl 2-Boc-aminomalonate in 98% yield. | [References]
[1] Journal of Organic Chemistry, 1986, vol. 51, # 15, p. 2910 - 2913
[2] Patent: CN106946724, 2017, A. Location in patent: Paragraph 0027; 0028; 0034; 0040
[3] Bioorganic and Medicinal Chemistry, 2002, vol. 10, # 12, p. 3973 - 3979
[4] Journal of Medicinal Chemistry, 2009, vol. 52, # 9, p. 2909 - 2922
[5] Patent: US2003/65176, 2003, A1 |
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