3-(Boc-amino)propanal - CAS 58885-60-2
Catalog: |
BB030194 |
Product Name: |
3-(Boc-amino)propanal |
CAS: |
58885-60-2 |
Synonyms: |
N-(3-oxopropyl)carbamic acid tert-butyl ester; tert-butyl N-(3-oxopropyl)carbamate |
IUPAC Name: | tert-butyl N-(3-oxopropyl)carbamate |
Description: | 3-(Boc-amino)propanal (CAS# 58885-60-2) is a reactant used to prepare pyrrolotriazine-4-one based Eg5 inhibitors. It is also used to synthesize 11-alkylideneindenoisoquinolines as topoisomerase I inhibitors. |
Molecular Weight: | 173.21 |
Molecular Formula: | C8H15NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCC=O |
InChI: | InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h6H,4-5H2,1-3H3,(H,9,11) |
InChI Key: | MLDSDVASYUUDLT-UHFFFAOYSA-N |
Density: | 1.017 g/cm3 |
LogP: | 1.49100 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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 |
CN-112707867-A | Novel method for synthesizing 2- (1-methylimidazol-5-yl) ethylamine hydrochloride | 20210204 |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
US-2021214338-A1 | 1,3-dipolar cycloadditions, and staudinger ligations for conjugating biomolecules using click chemistry | 20200110 |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
WO-2021118827-A1 | Visible-light mediated organophotoredox catalytic deuteration of aromatic and aliphatic aldehydes | 20191211 |
PMID | Publication Date | Title | Journal |
16389623 | 20060308 | Total synthesis and NMR investigations of cylindramide | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.10519334 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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