Di-tert-butyliminodicarboxylate - CAS 51779-32-9
Catalog: |
BB027583 |
Product Name: |
Di-tert-butyliminodicarboxylate |
CAS: |
51779-32-9 |
Synonyms: |
(Boc)2NH; is(Boc)amine; Bis(tert-butoxycarbonyl)amine; Di-tert-butyl Imidodicarbonate; Di-tert-butyl imidodicarboxylate; Iminodicarboxylic Acid Di(tert-butyl) Ester; NSC 131088; tert-Butyl N-(tert-butoxycarbonyl)carbamate; Imidodicarbonic acid, Bis(1,1-dimethylethyl) Ester; Imidodicarboxylic Acid, Di-tert-butyl Ester; tert-Butyl iminodicarboxylate; N-Boc-tert-butylcarbamate; di(tert-butyl) imidodicarbonate; diboc amine; Di-tert-butyliminodicarboxylate; di-boc-amine; bis-Boc amine |
IUPAC Name: | tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
Description: | Di-tert-butyl iminodicarboxylate is a protected amine group that is used to prepare conformationally constrained spirocycles as CCR1 antagonists. |
Molecular Weight: | 217.26 |
Molecular Formula: | C10H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C10H19NO4/c1-9(2,3)14-7(12)11-8(13)15-10(4,5)6/h1-6H3,(H,11,12,13) |
InChI Key: | XCAQIUOFDMREBA-UHFFFAOYSA-N |
Boiling Point: | 273.8±9.0 ℃ (Predicted) |
Melting Point: | 114-117 ℃ |
Purity: | > 95 % (GC) |
Density: | 1.037±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform, Methanol |
Appearance: | White to beige crystalline powder |
Storage: | 2-8 ℃ |
MDL: | MFCD00043309 |
LogP: | 2.83710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112707674-A | High-adsorption dispersion type polycarboxylate superplasticizer and preparation method thereof | 20201022 |
CN-112708051-A | Polycarboxylate superplasticizer with high mud absorption resistance function and preparation method thereof | 20201022 |
WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
WO-2021197159-A1 | Macrocyclic compounds that serve as dna-pk inhibitors | 20200331 |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
PMID | Publication Date | Title | Journal |
11817733 | 20020101 | Separation and control of the elution order of N-t-butyloxycarbonyl amino acids D/L isomers by reversed-phase HPLC using cyclodextrins as chiral selectors for the mobile phase | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.13140809 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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