1-Boc-7-methoxyindole-2-boronic Acid - CAS 913835-81-1

Name: 1-Boc-7-methoxyindole-2-boronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040148
Product Name:	1-Boc-7-methoxyindole-2-boronic Acid
CAS:	913835-81-1
Synonyms:	[7-methoxy-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]boronic acid; [7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

Technical Data

IUPAC Name:	[7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Description:	1-Boc-7-methoxyindole-2-boronic Acid (CAS# 913835-81-1) is a useful research chemical.
Molecular Weight:	291.11
Molecular Formula:	C14H18NO5B
Canonical SMILES:	B(C1=CC2=C(N1C(=O)OC(C)(C)C)C(=CC=C2)OC)(O)O
InChI:	InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11(15(18)19)8-9-6-5-7-10(20-4)12(9)16/h5-8,18-19H,1-4H3
InChI Key:	JYRDIGLHLIDRNE-UHFFFAOYSA-N
Boiling Point:	475.9 °C at 760 mmHg
Density:	1.19 g/cm³
Appearance:	Yellow solid
MDL:	MFCD08689542
LogP:	1.11290

GHS Hazard Statement:	H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2019336609-A1	C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors	20180501
WO-2019212990-A1	C40-, c28-, and c-32-linked rapamycin analogs as mtor inhibitors	20180501
WO-2019212991-A1	C26-linked rapamycin analogs as mtor inhibitors	20180501
AU-2019262978-A1	C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors	20180501
AU-2019262979-A1	C26-linked rapamycin analogs as mTOR inhibitors	20180501

Complexity:	384
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.1278028
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	291.1278028
Rotatable Bond Count:	4
Topological Polar Surface Area:	80.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0