tert-Butyl N-(benzyloxy)carbamate - CAS 79722-21-7
Catalog: |
BB036404 |
Product Name: |
tert-Butyl N-(benzyloxy)carbamate |
CAS: |
79722-21-7 |
Synonyms: |
tert-butyl N-phenylmethoxycarbamate |
IUPAC Name: | tert-butyl N-phenylmethoxycarbamate |
Description: | tert-Butyl N-(Benzyloxy)carbamate has been used in the synthesis of Deferoxamine Mesylate (D228980), an iron chelating agent used in therapy for patients with sickle cell diseases and iron overload. Studies suggest that it can exert potential antioxidant neuroprotective effects in stroke patients. |
Molecular Weight: | 223.27 |
Molecular Formula: | C12H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NOCC1=CC=CC=C1 |
InChI: | InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14) |
InChI Key: | MZNBNPWFHGWAGH-UHFFFAOYSA-N |
Purity: | > 98.0 % (N) |
Density: | 1.078 g/cm3 |
MDL: | MFCD00191873 |
LogP: | 3.03380 |
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-111072660-A | Simple preparation method of rilibatan | 20181022 |
CN-111072660-B | Simple preparation method of rilibatan | 20181022 |
WO-2020011254-A1 | Fused tri-cyclic compound as pde3/pde4 dual inhibitor | 20180713 |
WO-2019234115-A1 | Alkoxy-substituted pyridinyl derivatives as lpa1 receptor antagonists and their use in the treatment of fibrosis | 20180607 |
TW-202016090-A | Pyridyl derivatives substituted with alkoxy groups | 20180607 |
PMID | Publication Date | Title | Journal |
18401523 | 20080428 | Phase-transfer catalytic aza-Michael addition of tert-butyl benzyloxycarbamate to electron-deficient olefins | Chemical communications (Cambridge, England) |
17704771 | 20071001 | A new family of ATP-dependent oligomerization-macrocyclization biocatalysts | Nature chemical biology |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.12084340 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 47.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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