Boc-cis-Pro(4-F)-OH - CAS 203866-13-1
Catalog: |
BB015877 |
Product Name: |
Boc-cis-Pro(4-F)-OH |
CAS: |
203866-13-1 |
Synonyms: |
Boc-(S)-γ-fluoro-L-proline; N-Boc-cis-4-fluoro-L-proline; N-(t-Butoxycarbonyl)-cis-4-fluoro-L-proline; (2S,4S)-1-(t-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid |
IUPAC Name: | (2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
Description: | A reagent used in the synthesis of β-Amino pyrrolidine-2-carbonitrile derivatives as possible dipeptidyl peptidase IV (DPP4) inhibitors. |
Molecular Weight: | 233.24 |
Molecular Formula: | C10H16FNO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CC1C(=O)O)F |
InChI: | InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1 |
InChI Key: | YGWZXQOYEBWUTH-BQBZGAKWSA-N |
Boiling Point: | 346 °C at 760 mmHg |
Purity: | 97+ % |
Density: | 1.24 g/cm3 |
Appearance: | White powder |
Storage: | Store at 2-8 °C |
MDL: | MFCD04973957 |
LogP: | 1.35640 |
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-113429410-A | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 20200323 |
CN-112812128-A | Macrocyclic compounds as ALK and ROS modulators | 20191118 |
WO-2021031952-A1 | Oxygen-substituted six-membered ring pyrimidine compound, preparation method and medical use thereof | 20190816 |
WO-2021028643-A1 | Heterocyclic compounds for use in the treatment of cancer | 20190809 |
US-2020115389-A1 | Fused tricyclic ring derivatives as src homology-2 phosphatase inhibitors | 20180918 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.10633615 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.10633615 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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