Dimethyl aminoterephthalate - CAS 5372-81-6
Catalog: |
BB028339 |
Product Name: |
Dimethyl aminoterephthalate |
CAS: |
5372-81-6 |
Synonyms: |
dimethyl 2-aminobenzene-1,4-dicarboxylate |
IUPAC Name: | dimethyl 2-aminobenzene-1,4-dicarboxylate |
Description: | Dimethyl aminoterephthalate (CAS# 5372-81-6) is used to prepare imidazotetrazinones as probes for action of temozolomide. It can be used to prepare aminoquinazolines with neurokinin-2 receptor antagonist activity. |
Molecular Weight: | 209.20 |
Molecular Formula: | C10H11NO4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)C(=O)OC)N |
InChI: | InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3 |
InChI Key: | DSSKDXUDARIMTR-UHFFFAOYSA-N |
Boiling Point: | 345.6 ℃ at 760 mmHg |
Density: | 1.248 g/cm3 |
MDL: | MFCD00008427 |
LogP: | 1.42320 |
GHS Hazard Statement: | H315 (32.43%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248671-A | Preparation and application of amino functionalized hydrazone covalent organic framework material | 20210525 |
CN-113354590-A | Quinazolinone compound for antagonizing NOD1/2 receptor signal pathway | 20200305 |
JP-2021047350-A | toner | 20190920 |
WO-2020204876-A1 | Mof comprising topical composition | 20190329 |
CN-109939081-B | F3 polypeptide targeted nano organometallic framework materials (nMOFs) and preparation method thereof | 20190312 |
PMID | Publication Date | Title | Journal |
21577922 | 20090916 | 2-Aminoterephthalic acid dimethyl ester | Acta crystallographica. Section E, Structure reports online |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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