Boc-(R,S)-2-carboxymorpholine - CAS 189321-66-2
Catalog: |
BB044185 |
Product Name: |
Boc-(R,S)-2-carboxymorpholine |
CAS: |
189321-66-2 |
Synonyms: |
Boc-(R,S)-Cop-OH; 4-Boc-2-morpholinecarboxylic acid; 4-Boc-2-morpholinecarboxylic acid; N-Boc-Morpholine-2-carboxylic acid; 4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid; 2,4-Morpholinedicarboxylicacid, 4-(1,1-dimethylethyl) ester; N-Boc-2-morpholinecarboxylic acid; (2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid |
IUPAC Name: | 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid |
Description: | Boc-(R,S)-2-carboxymorpholine is used in the preparation of potent and selective 3-phosphoinositide-dependent kinase 1 (PDK 1) inhibitors used in the treatment of multiple myelomas. |
Molecular Weight: | 231.25 |
Molecular Formula: | C10H17NO5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOC(C1)C(=O)O |
InChI: | InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13) |
InChI Key: | LGWMTRPJZFEWCX-UHFFFAOYSA-N |
Boiling Point: | 369.5±42.0 °C (Predicted) |
Melting Point: | > 139 °C (dec.) |
Purity: | ≥ 98 % (NMR) |
Density: | 1.230±0.06 g/cm3 (Predicted) |
Appearance: | White to off-white powder |
Storage: | Store at 2-8 °C |
GHS Hazard Statement: | H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (66.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H411 (33.33%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.11067264 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.11067264 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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