Methyl 2-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
Basic information
- CAS
885681-94-7- Standard SMILES
COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1- InChIKey
KOHHRSVKOQMBHI-UHFFFAOYSA-N- Molecular formula
- C16H23BO4
- Average molar mass
- 290.2 g/mol
- Monoisotopic mass
- 290.1689394
Names & identifiers
- Preferred name
- Methyl 2-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
- IUPAC
- methyl 2-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
- English name
- methyl [3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]acetate
- Molecular formula
- C16H23BO4
- Molecular weight
- 290.16
Names & synonyms
885681-94-7methyl 2-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateMethyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetatemethyl 2-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetatemethyl [3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateSCHEMBL14712147KOHHRSVKOQMBHI-UHFFFAOYSA-NDTXSID001140336DB-109122CS-0112622F95647F612728
Show more names
2-Methyl-4-(methoxycarbonylmethyl)benzeneboronic acid pinacol estermethyl [3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]acetatemethyl[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateBenzeneacetic acid, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
Database identifiers
- CAS
885681-94-7- PubChem CID
- 71267115
- DTXSID
DTXSID001140336
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 379.2 · 379.2±37.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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