Methyl 1-BOC-indole-5-carboxylate - CAS 272438-11-6

Catalog:	BB059355
Product Name:	Methyl 1-BOC-indole-5-carboxylate
CAS:	272438-11-6
Synonyms:	1-tert-Butyl 5-methyl 1H-indole-1,5-dicarboxylate; Methyl 1-BOC-indole-5-carboxylate; 1-O-tert-butyl 5-O-methyl indole-1,5-dicarboxylate; 1H-Indole-1,5-dicarboxylic acid, 1-(1,1-dimethylethyl) 5-methyl ester; 1-tert-Butyl5-methyl1H-indole-1,5-dicarboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-O-tert-butyl 5-O-methyl indole-1,5-dicarboxylate
Description:	Methyl 1-BOC-indole-5-carboxylate
Molecular Weight:	275.3
Molecular Formula:	C15H17NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)C(=O)OC
InChI:	InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-8-7-10-9-11(13(17)19-4)5-6-12(10)16/h5-9H,1-4H3
InChI Key:	AYLPJERLLUZRGD-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2018186782-A1	Amide compounds for treatment of immune and inflammatory disorders	20150826
US-10919884-B2	Amide compounds for treatment of immune and inflammatory disorders	20150826
US-2021115034-A1	Amide compounds for treatment of immune and inflammatory disorders	20150826
KR-20160106627-A	Therapeutic inhibitory compounds	20131230
TW-200846322-A	Heteroaryl amido lower carboxylic acid derivative	20070509
EP-2017263-A1	Heteroarylamide lower carboxylic acid derivative	20060509
JP-WO2007129745-A1	Heteroarylamide lower carboxylic acid derivatives	20060509
US-2009324581-A1	Heteroarylamide lower carboxylic acid derivative	20060509
WO-2007129745-A1	Heteroarylamide lower carboxylic acid derivative	20060509
WO-2004063336-A2	Uses of deazapurines for the treatment of reperfusion injuries, osteoporosis and/or bone metastasis	20030107

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	388
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.11575802
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	275.11575802
Rotatable Bond Count:	4
Topological Polar Surface Area:	57.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1