Methyl 1-Methyl-5-indolecarboxylate - CAS 128742-76-7

Name: Methyl 1-Methyl-5-indolecarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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