tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate - CAS 302911-78-0
Catalog: |
BB020519 |
Product Name: |
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate |
CAS: |
302911-78-0 |
Synonyms: |
tert-butyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate |
IUPAC Name: | tert-butyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate |
Description: | tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate (CAS# 302911-78-0 ) is a useful research chemical. |
Molecular Weight: | 353.41 |
Molecular Formula: | C21H23NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(=O)OC(C1C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3 |
InChI Key: | MRUKRSQUUNYOFK-UHFFFAOYSA-N |
Melting Point: | 191-193 °C(lit.) |
Purity: | 95 % |
MDL: | MFCD00074954 |
LogP: | 4.20080 |
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 |
WO-2020255038-A1 | Combination of hepatitis b virus (hbv) vaccines and pyridopyrimidine derivatives | 20190618 |
EP-3097102-A1 | Toll-like receptor modulating 4,6-diamino-pyrido[3,2-d]pyrimidine compounds | 20150304 |
EP-3097102-B1 | Toll-like receptor modulating 4,6-diamino-pyrido[3,2-d]pyrimidine compounds | 20150304 |
EP-3321265-A1 | 4,6-diamino-pyrido[3,2-d]pyrimidine compounds and their utilisation as modulators of toll-like receptors | 20150304 |
EP-3321265-B1 | 4,6-diamino-pyrido[3,2-d]pyrimidine compounds and their utilisation as modulators of toll-like receptors | 20150304 |
Complexity: | 501 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 353.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 353.16270821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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