6-(Benzyloxy)-1H-indole-3-carbaldehyde - CAS 92855-64-6

Catalog:	BB040673
Product Name:	6-(Benzyloxy)-1H-indole-3-carbaldehyde
CAS:	92855-64-6
Synonyms:	6-phenylmethoxy-1H-indole-3-carboxaldehyde; 6-phenylmethoxy-1H-indole-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-phenylmethoxy-1H-indole-3-carbaldehyde
Description:	6-(Benzyloxy)-1H-indole-3-carbaldehyde (CAS# 92855-64-6) is a useful research chemical.
Molecular Weight:	251.28
Molecular Formula:	C16H13NO2
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3)C=O
InChI:	InChI=1S/C16H13NO2/c18-10-13-9-17-16-8-14(6-7-15(13)16)19-11-12-4-2-1-3-5-12/h1-10,17H,11H2
InChI Key:	UUKFCVCTRWNXBI-UHFFFAOYSA-N
Boiling Point:	474.2 °C at 760 mmHg
Density:	1.267 g/cm³
MDL:	MFCD00056931
LogP:	3.55940

Publication Number	Title	Priority Date
WO-2020120525-A1	Synthesis of (s)-6-hydroxytryptophan and derivatives thereof	20181211
CN-113166057-A	Synthesis of (S) -6-hydroxytryptophan and derivatives thereof	20181211
EP-3894390-A1	Synthesis of (s)-6-hydroxytryptophan and derivatives thereof	20181211
KR-20210102200-A	Synthesis of (S)-6-hydroxytryptophan and its derivatives	20181211
US-2018086701-A1	Enantioselective synthesis of pyrroloindole compounds	20160928

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Related Functional Groups

Carbonyl Compounds

[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
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (100%): 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:	301
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.094628657
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.094628657
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1