N-Boc-trans-4-fluoro-L-proline methyl ester - CAS 203866-18-6
Catalog: |
BB015880 |
Product Name: |
N-Boc-trans-4-fluoro-L-proline methyl ester |
CAS: |
203866-18-6 |
Synonyms: |
1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)-; 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-trans)-; 1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate; 1-(tert-Butyl) 2-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate |
Description: | N-Boc-trans-4-fluoro-L-proline methyl ester, a critical entity pervasively employed in the pharmaceutical sector, emerges as a fundamental constituent facilitating synthesis across diverse compounds. Its pivotal role extends to the realm of drug development for targeted disease intervention, exemplifying its versatility and significance in medicinal advancement. |
Molecular Weight: | 247.26 |
Molecular Formula: | C11H18FNO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)F |
InChI: | InChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1 |
InChI Key: | METPQQHVRNLTRX-SFYZADRCSA-N |
Boiling Point: | 296.5±40.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.16±0.1 g/cm3 |
Appearance: | Viscous liquid to solid |
Storage: | Store at 2-8°C |
MDL: | MFCD07367993 |
LogP: | 1.44480 |
Publication Number | Title | Priority Date |
US-2020283452-A1 | Pentacyclic heterocycles | 20190305 |
US-2020331911-A1 | Kras g12c inhibitors | 20190110 |
WO-2020146613-A1 | Kras g12c inhibitors | 20190110 |
US-2020181118-A1 | Fused ring compounds | 20181109 |
CN-112105419-A | Fused ring compound | 20181109 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.12198622 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.12198622 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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