(±)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione - CAS 20007-72-1
Catalog: |
BB015442 |
Product Name: |
(±)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione |
CAS: |
20007-72-1 |
Synonyms: |
8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione |
IUPAC Name: | 8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione |
Description: | (±)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione (CAS# 20007-72-1) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CC12CCC(=O)C=C1CCCC2=O |
InChI: | InChI=1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3 |
InChI Key: | DNHDRUMZDHWHKG-UHFFFAOYSA-N |
Boiling Point: | 109 °C |
Melting Point: | 47-50 °C |
Purity: | 95 % |
Density: | 1.1 g/cm3 |
Appearance: | Beige to brown adhering crystalline powder |
Storage: | 0-6 °C |
MDL: | MFCD00001687 |
LogP: | 2.03500 |
Publication Number | Title | Priority Date |
WO-2020176386-A2 | Methods of carbon-carbon bond fragmentation | 20190225 |
AU-2018281693-A1 | Method of producing EPD and analogues thereof | 20170608 |
CA-3065916-A1 | Method of producing epd and analogues thereof | 20170608 |
EP-3634954-A1 | Method of producing epd and analogues thereof | 20170608 |
NL-2019035-B1 | Method of producing EPD and analogues thereof | 20170608 |
PMID | Publication Date | Title | Journal |
21557626 | 20110615 | Enantiocontrolled total syntheses of breviones A, B, and C | Journal of the American Chemical Society |
21058658 | 20101203 | Synthesis of monoacylated derivatives of 1,2- cyclohexanediamine. Evaluation of their catalytic activity in the preparation of Wieland-Miescher ketone | The Journal of organic chemistry |
20564278 | 20100802 | Total synthesis, assignment of the absolute stereochemistry, and structure-activity relationship studies of subglutinols A and B | Chemistry, an Asian journal |
20377233 | 20100507 | A ring contraction strategy toward a diastereoselective total synthesis of (+)-bakkenolide A | The Journal of organic chemistry |
19860426 | 20091120 | Total synthesis and absolute stereochemistry of integric acid | The Journal of organic chemistry |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS