ethyl 2-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)acetate

• ChemBase ID: 134466
• Molecular Formular: C10H23NO2Si2
• Molecular Mass: 245.46612
• Monoisotopic Mass: 245.12673205
• SMILES: CCOC(=O)CN1[Si](CC[Si]1(C)C)(C)C
• Canonical SMILES: CCOC(=O)CN1[Si](C)(C)CC[Si]1(C)C
• InChI: InChI=1S/C10H23NO2Si2/c1-6-13-10(12)9-11-14(2,3)7-8-15(11,4)5/h6-9H2,1-5H3
• InChIKey: NTAZFMGCNVXERO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)acetate
• IUPAC Traditional name: ethyl 2-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)acetate
• Synonyms: Ethyl 2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-acetate; 2,2,5,5-Tetramethyl-1,2,5-azadisilolidin-1-acetic acid ethyl ester; Ethyl 2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-acetate; (1-Ethoxycarbonylmethyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane; STABASE-ethyl glycinate; STABASE-甘氨酸乙酯; (1-乙氧基羰基甲基)-2,2,5,5-四甲基-1-氮杂-2,5-二硅杂环戊烷

Database IDs

• CAS Number: 78605-23-9
• MDL Number: MFCD00043029
• Beilstein Number: 3545518
• PubChem SID: 24888955; 162228742
• PubChem CID: 4305702

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3670068
• LogD (pH = 7.4): -0.82758516
• Log P: 2.0957
• Molar Refractivity: 57.1767 cm^3
• Polarizability: 26.585926 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80-82 °C/0.25 mmHg(lit.)
• Flash Point: 181.4 °F; 83 °C
• Density: 0.95 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.451; n20/D 1.451(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0%; 97%
• Empirical Formula (Hill Notation): C10H23NO2Si2

DETAILS

Sigma Aldrich - 87749

Other Notes
Starting material for the synthesis of various α-amino acids1,2,3; Cycloaddition of its enolate with imines4,5