1-Boc-3-bromo-5-methoxyindole - CAS 348640-11-9

Name: 1-Boc-3-bromo-5-methoxyindole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022340
Product Name:	1-Boc-3-bromo-5-methoxyindole
CAS:	348640-11-9
Synonyms:	3-bromo-5-methoxy-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-5-methoxyindole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-bromo-5-methoxyindole-1-carboxylate
Description:	1-Boc-3-bromo-5-methoxyindole (CAS# 348640-11-9) is a useful research chemical.
Molecular Weight:	326.19
Molecular Formula:	C14H16BrNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OC)Br
InChI:	InChI=1S/C14H16BrNO3/c1-14(2,3)19-13(17)16-8-11(15)10-7-9(18-4)5-6-12(10)16/h5-8H,1-4H3
InChI Key:	DCTZDUWRIAYEIF-UHFFFAOYSA-N
Boiling Point:	403.846 °C at 760 mmHg
Density:	1.379 g/cm³
Appearance:	Solid
LogP:	4.19560

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Related Functional Groups

Indoles

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1884330-89-5]C9H8ND
1-Methyl-1H-indole-5-D
[116952-58-0]C14H18N2O3
2-Ethoxycarbonyl-5-methoxytryptamine
[2170450-99-2]C16H12N2O2S
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[109021-59-2]C10H9NO2
7-Methoxy-1H-indole-3-carbaldehyde
[1375064-65-5]C11H9BrClNO2
Ethyl 3-Bromo-5-chloroindole-1-carboxylate

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WO-2021083060-A1	Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof	20191028
EP-3331530-A1	Mthfd2 inhibitors and uses thereof	20150803
WO-2017023894-A1	Mthfd2 inhibitors and uses thereof	20150803
CA-2799156-A1	Pyrrolopyridine and pyrrolopyrimidine inhibitors of kinases	20100512
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Complexity:	342
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	325.03136
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	325.03136
Rotatable Bond Count:	3
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9