Determine the necessary mass, volume, or concentration for preparing a solution.
≥96%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488191098 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191098 |
| Canonical Smiles | CC1(N(C(CO1)C(=O)OC)C(=O)OC(C)(C)C)C |
| IUPAC Name | 3-O-tert-butyl 4-O-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate |
| InChIKey | ZNBUXTFASGDVCL-QMMMGPOBSA-N |
| INCHI | 1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m0/s1 |
| Isomeric SMILES | CC1(N([C@@H](CO1)C(=O)OC)C(=O)OC(C)(C)C)C |
| WGK Germany | 3 |
| Molecular Weight | 259.3 |
| Reaxy-Rn | 6810530 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6810530&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Oxazolidines Methyl esters Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid ester - Oxazolidine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Feb 08, 2025 | S161368 |
| Sensitivity | air sensitive |
|---|---|
| Refractive Index | 1.443 |
| Specific Rotation[α] | [α]20/D -55°, c = 1.3 in chloroform |
| Flash Point(°F) | 199.4 °F |
| Flash Point(°C) | 93°C |
| Boil Point(°C) | 101-102 °C/2 mmHg |
| Molecular Weight | 259.300 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 259.142 Da |
| Monoisotopic Mass | 259.142 Da |
| Topological Polar Surface Area | 65.099 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 345.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |