Diethyl aminomalonate hydrochloride - CAS 13433-00-6
Catalog: |
BB007912 |
Product Name: |
Diethyl aminomalonate hydrochloride |
CAS: |
13433-00-6 |
Synonyms: |
diethyl 2-aminopropanedioate;hydrochloride |
IUPAC Name: | diethyl 2-aminopropanedioate;hydrochloride |
Description: | Diethyl aminomalonate hydrochloride (CAS# 13433-00-6) is used as a reagent in the synthesis N-(aminopropyl)-N-aroylaminopropyl-substituted thiazolo[5,4-d]pyrimidinones and its analogs as kinesin spindle protein inhibitors and potential anticancer agents. |
Molecular Weight: | 211.64 |
Molecular Formula: | C7H14ClNO4 |
Canonical SMILES: | CCOC(=O)C(C(=O)OCC)N.Cl |
InChI: | InChI=1S/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H |
InChI Key: | GLFVNTDRBTZJIY-UHFFFAOYSA-N |
Boiling Point: | 156-158 °C |
Melting Point: | 165-170 °C |
Purity: | 99 % |
Density: | 1.129 g/cm3 |
Appearance: | White to slightly yellow crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00012510 |
LogP: | 0.94220 |
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-113045447-A | 2-amino malonamide and synthetic method thereof | 20210316 |
CN-111072959-A | Polypyrrole derivative and preparation method and application thereof | 20191231 |
WO-2021041970-A1 | Perk inhibiting imidazolopyrazine compounds | 20190829 |
WO-2021041976-A1 | Perk inhibiting indolinyl compounds | 20190829 |
CN-110357804-A | A kind of synthetic method of pyrrole carboxylic acid derivative | 20190710 |
PMID | Publication Date | Title | Journal |
18833548 | 20080101 | Reaction control in the organocatalytic asymmetric one-pot, three-component reaction of aldehydes, diethyl alpha-aminomalonate and nitroalkenes: toward diversity-oriented synthesis | Chemistry (Weinheim an der Bergstrasse, Germany) |
11777476 | 20020111 | Regiochemistry in 1,3-dipolar cycloadditions of the azomethine ylide formed from diethyl aminomalonate and paraformaldehyde | The Journal of organic chemistry |
11529788 | 20010906 | A heterocycle-forming double michael reaction. [5 + 1] annulation route to highly substituted and functionalized piperidines | Organic letters |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0611356 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0611356 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 78.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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