CAS 352359-22-9 1-Boc-6-chloroindole-2-boronic acid (HCID 44119151)

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Basic information

CAS: 352359-22-9
Standard SMILES: CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(Cl)cc21
InChIKey: AHUWHEZTYPWOCY-UHFFFAOYSA-N
Molecular formula: C13H15BClNO4
Average molar mass: 295.53 g/mol
Monoisotopic mass: 295.07826604

Overview

See also: 6-Chloroindole-2-boronic acid (annotation moved to).

Names & identifiers

Preferred name: 1-Boc-6-chloroindole-2-boronic acid
IUPAC: [6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
English name: 1-(tert-Butoxycarbonyl)-6-chloro-1H-indol-2-ylboronic acid
Molecular formula: C13H15BClNO4
Molecular weight: 295.53

Names & synonyms

352359-22-91-BOC-6-CHLOROINDOLE-2-BORONIC ACIDN-Boc-6-Chloro-1H-indol-2-ylboronic acid(1-(tert-Butoxycarbonyl)-6-chloro-1H-indol-2-yl)boronic acid1-(tert-butoxycarbonyl)-6-chloro-1H-indol-2-ylboronic acidMFCD08689539N-Boc-6-chloro-1H-indole-2-boronic acid[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid6-Chloroindole-2-boronic acid, N-BOC protected{1-[(tert-butoxy)carbonyl]-6-chloro-1H-indol-2-yl}boronic acid[1-(tert-butoxycarbonyl)-6-chloro-1h-indol-2-yl]boronic acidN-Boc-6-Chloro-1H-indol-2-ylboronicacid

Show more names

N-BOC-6-CHLOROINDOLE-2-BORONIC ACID6-Chloroindole-2-boronicacid,N-BOCprotected98%6-Chloroindole-2-boronic acid, N-BOC protected 98%1-(tert-butoxycarbonyl)-6-chloroindol-2-ylboronic acid

1-(Tert-butoxycarbonyl)-6-chloro-1H-indol-2-yl-2-boronic acid1-BOC-6-CHLORO-2-INDOLEBORONIC ACIDSCHEMBL1605189SCHEMBL29951847DTXSID80657051AHUWHEZTYPWOCY-UHFFFAOYSA-NN-Boc-6-chloro-indoleboronic acidAKOS015836494

Properties

Computed structural properties

Topological polar surface area: 71.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 374

Physicochemical properties

Melting point: 110 · 110-113
Boiling point: 471.4 · 471.4±55.0 °C(Predicted)
Density: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 7.85 · 7.85±0.30(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Hazard Note: Irritant/Keep Cold
HS Code: 2933299090 · 2933299090