Methyl indole-4-carboxylate - CAS 39830-66-5

Catalog:	BB024152
Product Name:	Methyl indole-4-carboxylate
CAS:	39830-66-5
Synonyms:	1H-Indole-4-carboxylic acid, methyl ester; Indole-4-carboxylic acid, methyl ester; 4-Methoxycarbonylindole; Methyl 4-indolecarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 1H-indole-4-carboxylate
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	COC(=O)C1=C2C=CNC2=CC=C1
InChI:	InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
InChI Key:	WEAXQUBYRSEBJD-UHFFFAOYSA-N
Boiling Point:	331.7±15.0°C at 760 Torr
Melting Point:	64°C
Purity:	≥95%
Density:	1.253±0.06 g/cm3
MDL:	MFCD00191222
LogP:	1.95450

Publication Number	Title	Priority Date
CN-112574093-A	Novel green method for preparing 3-diaryl methyl substituted indole compound	20210129
CN-112209915-A	Method for air oxidation of N-pyridine indoline compounds	20200908
US-2021115038-A1	Malic enzyme inhibitors	20191017
WO-2021046194-A1	Tryptoline-based benzothiazoles and their use as antibiotics and antibiotic resistance-modifying agents	20190903
WO-2021018298-A1	Indolo-seven-membered acyloxime compounds as parp inhibitors	20190801

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate

GHS Hazard Statement:	H315 (97.62%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.063328530
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6