tert-Butyl 4-formyl-5-methoxypyridin-3-ylcarbamate - CAS 1049677-54-4
Catalog: |
BB001527 |
Product Name: |
tert-Butyl 4-formyl-5-methoxypyridin-3-ylcarbamate |
CAS: |
1049677-54-4 |
Synonyms: |
tert-butyl N-(4-formyl-5-methoxypyridin-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(4-formyl-5-methoxypyridin-3-yl)carbamate |
Description: | tert-Butyl 4-formyl-5-methoxypyridin-3-ylcarbamate (CAS# 1049677-54-4) is a building block used in organic synthesis. |
Molecular Weight: | 252.27 |
Molecular Formula: | C12H16N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CN=CC(=C1C=O)OC |
InChI: | InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-5-13-6-10(17-4)8(9)7-15/h5-7H,1-4H3,(H,14,16) |
InChI Key: | LTLUHPMDNVETLG-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD11053566 |
LogP: | 2.32270 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.11100700 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.11100700 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 77.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Pyridines
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