Diethyl 2-(p-tolyl)malonate - CAS 29148-27-4
Catalog: |
BB020108 |
Product Name: |
Diethyl 2-(p-tolyl)malonate |
CAS: |
29148-27-4 |
Synonyms: |
diethyl 2-(4-methylphenyl)propanedioate |
IUPAC Name: | diethyl 2-(4-methylphenyl)propanedioate |
Description: | Diethyl 2-(p-tolyl)malonate (CAS# 29148-27-4) is a useful research chemical compound. |
Molecular Weight: | 250.29 |
Molecular Formula: | C14H18O4 |
Canonical SMILES: | CCOC(=O)C(C1=CC=C(C=C1)C)C(=O)OCC |
InChI: | InChI=1S/C14H18O4/c1-4-17-13(15)12(14(16)18-5-2)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3 |
InChI Key: | WGBSHZUHSDGHLV-UHFFFAOYSA-N |
Boiling Point: | 124-125 ℃ / 1 mmHg (lit.) |
Density: | 1.054 g/mL at 25℃(lit.) |
MDL: | MFCD00013242 |
LogP: | 2.20480 |
Publication Number | Title | Priority Date |
WO-2019168508-A1 | Method and material for synthesis and purification by use of a coated solid substrate | 20180227 |
US-10364208-B2 | Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis | 20170105 |
US-2018186721-A1 | Oxidative coupling of aryl boron reagents with sp3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis | 20170105 |
CN-107266275-B | Compound containing monofluoromethyl, preparation method and application thereof | 20160330 |
EP-2658855-A2 | Novel polyketide compounds and methods of making same | 20101231 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.12050905 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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