Methyl 1-Methyl-5-indolecarboxylate - CAS 128742-76-7
Catalog: |
BB006929 |
Product Name: |
Methyl 1-Methyl-5-indolecarboxylate |
CAS: |
128742-76-7 |
Synonyms: |
1-methyl-5-indolecarboxylic acid methyl ester; methyl 1-methylindole-5-carboxylate |
IUPAC Name: | methyl 1-methylindole-5-carboxylate |
Description: | Methyl 1-Methyl-5-indolecarboxylate (CAS# 128742-76-7) is a useful reactant for the synthesis of bisindolylmethanes from indoles and ethers electrochemically. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CN1C=CC2=C1C=CC(=C2)C(=O)OC |
InChI: | InChI=1S/C11H11NO2/c1-12-6-5-8-7-9(11(13)14-2)3-4-10(8)12/h3-7H,1-2H3 |
InChI Key: | VJJMGOYLSMSMCD-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD11977801 |
LogP: | 1.96490 |
Publication Number | Title | Priority Date |
CN-111909074-A | Method for preparing indole compound by air oxidation catalyzed by N-hydroxyphthalimide | 20200731 |
WO-2018237163-A1 | 5-AMINOLEVULINATE SYNTHASE INHIBITORS AND METHODS OF USE | 20170623 |
US-2021269397-A1 | 5-aminolevulinate synthase inhibitors and methods of use thereof | 20170623 |
CN-107383024-A | The class compound of fused tricyclic containing imidazoles and its application | 20160912 |
CN-107383024-B | The class compound of fused tricyclic containing imidazoles and its application | 20160912 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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