N-Boc-3-iodo-5-methoxy-1H-indole - CAS 192189-10-9

Catalog:	BB014858
Product Name:	N-Boc-3-iodo-5-methoxy-1H-indole
CAS:	192189-10-9
Synonyms:	3-iodo-5-methoxy-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-iodo-5-methoxyindole-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-iodo-5-methoxyindole-1-carboxylate
Description:	N-Boc-3-iodo-5-methoxy-1H-indole (CAS# 192189-10-9) is a useful research chemical compound.
Molecular Weight:	373.19
Molecular Formula:	C14H16INO3
Canonical SMILES:	CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OC)I
InChI:	InChI=1S/C14H16INO3/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:	RWYNBDBUFOORRC-UHFFFAOYSA-N
Boiling Point:	423.3 °C at 760 mmHg
Density:	1.54 g/cm³
MDL:	MFCD05864763
LogP:	4.03770

Publication Number	Title	Priority Date
CN-110759893-A	Hyrtinadidine alkaloid derivative, preparation thereof and application thereof in resisting plant viruses and germs	20180726
WO-2008014249-A2	Improved preparations of 2 -substituted pyrrolo [2, 3-b] pyrazine ( 4, 7 -diazaindole ) compounds	20060724

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Related Functional Groups

Indoles

[2642-37-7]
Indoxyl sulfate potassium salt
[20776-45-8]
5-Benzyloxytryptamine
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[15861-24-2]
Indole-5-carbonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	342
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	373.01749
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	373.01749
Rotatable Bond Count:	3
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9