HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl N-(tert-butoxycarbonyl)-L-threoninate
Boc-L-Thr-OMe · Boc-Thr-OMe-OH · N-BOC-L-threonine methylester · (Tert-Butoxy)Carbonyl Thr-OMe · N-Boc-L-threonine methyl ester, 95% · N-Boc-L-threonine methyl ester, 97.5% · Boc-L-threonine methyl ester≥ 98% (HPLC) · N-(TERT-BUTOXYCARBONYL)-L-THREONINE MET&
Identifiers & Physical Properties
| CAS No. | 79479-07-5 |
|---|---|
| Molecular formula | C10H19NO5 |
| Average molar mass | 233.26 g/mol |
| Monoisotopic mass | 233.12632271 g/mol |
| SMILES | COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O |
| InChIKey | MZMWAPNVRMDIPS-RQJHMYQMSA-N |
| PubChem CID | 11368286 |
| DTXSID | DTXSID70463764 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 84.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 258 |
| Boiling point | 206 °C(lit.) |
| Density | 1.123±0.06 g/cm3(Predicted) |
| Refractive index | n20/D 1.45(lit.) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Chloroform (Sparingly), Dichloromethane (Sparingly), DMF (Sparingly)Slightly soluble in water. |
| Physical state | Viscous Liquid |
| pKa (acidity coefficient) | 11.00±0.46(Predicted) |
| Color | Yellow |
| Major applications | peptide synthesis |
| InChI | 1S/C10H19NO5/c1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4/h6-7,12H,1-5H3,(H,11,14)/t6-,7+/m1/s1 |
| InChIKey | MZMWAPNVRMDIPS-RQJHMYQMSA-N |
| SMILES | COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O |
| UNSPSC Code | 12352200 |
| NACRES | NA.22 |
| GHS pictogram | GHS06 |
| Signal word | Warning |
| GHS hazard statements | H302+H332-H311-H315-H319 |
| GHS precautionary statements | P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P361-P405-P501c |
| Water hazard class (WGK) | 3 |
| Customs code | 29241990 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| Customs code | 29241990 |
| Signal word | Warning |
| GHS pictogram | GHS06 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H302+H332-H311-H315-H319 |
| GHS precautionary statements | P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P361-P405-P501c |
Applications & Uses
Uses
N-Boc-L-threonine methyl ester is used as pharmaceutical intermediates and chemical intermediate.