3,4-Oxazolidinedicarboxylicacid, 2,2-dimethyl-, 3-(1,1-dimethylethyl) 4-methyl ester, (4R)- - CAS 95715-86-9
Catalog: |
BB043870 |
Product Name: |
3,4-Oxazolidinedicarboxylicacid, 2,2-dimethyl-, 3-(1,1-dimethylethyl) 4-methyl ester, (4R)- |
CAS: |
95715-86-9 |
Synonyms: |
3-(1,1-DIMETHYLETHYL)-4-METHYL-(R)-2,2-DIMETHYL-3,4-OXAZOLIDINEDICARBOXYLATE; METHYL (R)-(+)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYL-4-OXAZOLIDINECARBOXYLATE; (R)-(+)-METHYL 3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYLOXAZOLIDINE-4-CARBOXYLATE; RARECHEM AH CK 0054; Met |
Application: |
Intermediate in the preparation of various enzymatic inhibitors. |
IUPAC Name: | 3-O-tert-butyl 4-O-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate |
Description: | Intermediate in the preparation of various enzymatic inhibitors. |
Molecular Weight: | 259.30 |
Molecular Formula: | C12H21NO5 |
Canonical SMILES: | CC1(N(C(CO1)C(=O)OC)C(=O)OC(C)(C)C)C |
InChI: | 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-/m1/s1 |
InChI Key: | ZNBUXTFASGDVCL-MRVPVSSYSA-N |
Boiling Point: | 102 °C / 2 mmHg |
Flash Point: | 93 °C(199.4 °F) |
Purity: | 95 % |
Density: | 1.107 g/cm3 |
Appearance: | Yellow oil |
Storage: | Inert atmosphere. |
MDL: | MFCD00674041 |
Refractive Index: | 1.44 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P302+P352 - P305+P351+P338 |
Signal Word: | Warning |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.14197277 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.14197277 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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