1-(tert-butyl) 6-Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,6-dicarboxylate
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Basic information
- CAS
2377609-81-7- Standard SMILES
COC(=O)c1ccc2c(B3OC(C)(C)C(C)(C)O3)cn(C(=O)OC(C)(C)C)c2c1- InChIKey
JWWJLMSXACHNRH-UHFFFAOYSA-N- Molecular formula
- C21H28BNO6
- Average molar mass
- 401.3 g/mol
Names & identifiers
- Preferred name
- 1-(tert-butyl) 6-Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,6-dicarboxylate
- IUPAC
- 1-O-tert-butyl 6-O-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1,6-dicarboxylate
- English name
- 1-BOC-6-(Methoxycarbonyl)indole-3-boronic acid pinacol ester
- Molecular formula
- C21H28BNO6
- Molecular weight
- 401.26
Names & synonyms
2377609-81-71-(tert-butyl) 6-Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,6-dicarboxylate1-BOC-6-(Methoxycarbonyl)indole-3-boronic acid pinacol esterMFCD307176791-tert-butyl 6-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,6-dicarboxylateAKOS0376490211-O-tert-butyl 6-O-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1,6-dicarboxylateBS-16275SY317604CS-0161777D80469F690543
Show more names
1-BOC-6-(Methoxycarbonyl)indole-3-boronic acid pinacol este(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,6-dicarboxylate1-(tert-butyl)6-Methyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,6-dicarboxylate1H-Indole-1,6-dicarboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-(1,1-dimethylethyl) 6-methyl esterO1-tert-butyl O6-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1,6-dicarboxylate
Database identifiers
- CAS
2377609-81-7
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- Boiling point
- 510.1 · 510.1±53.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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