Basic information
- CAS
171364-79-7- Standard SMILES
COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
VFIKPDSQDNROGM-UHFFFAOYSA-N- Molecular formula
- C13H19BO3
- Average molar mass
- 234.1 g/mol
- Monoisotopic mass
- 234.14272487
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 4-METHOXYPHENYLBORONIC ACID, PINACOL ESTER
- Molecular formula
- C13H19BO3
- Molecular weight
- 234.1
Names & synonyms
171364-79-72-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anisoleDTXSID00342770RefChem:457942DTXCID60293850801-556-44-Methoxyphenylboronic acid pinacol ester4-METHOXYPHENYLBORONIC ACID, PINACOL ESTERMFCD056638644-Methoxyphenylboronic acid , pinacol ester1,3,2-DIOXABOROLANE, 2-(4-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-
Show more names
p-(Pinacolboryl)anisol4-methoxybenzeneboronic acidolester4-Methoxybenzeneboronic acid, pinacol ester4-Methoxypinacol ester of phenylboronic acid,4-Methoxybenzeneboronic acid, pinacol ester 97%4-Methoxy-1-(4,4,5,5-tetraMethyl-1,3,2-dioxaboro4,4,5,5-TetraMethyl-2-(4-Methoxyphenyl)-1,3,2-dioxaborolane
2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolaneSCHEMBL4645054-(4,4,5,5-tetramethyl-1,3,2-dioxaborolyl)anisoleSCHEMBL6736601CHEMBL5193023SCHEMBL16013941AKOS015910437AB21973
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 26 · 26-28 °C
- Boiling point
- 321.1 · 321.1±25.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- refractive index
- 1.51 · 1.51
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to lump
- color
- White to Almost white
- InChI
- 1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6-9H,1-5H3
- InChIKey
- VFIKPDSQDNROGM-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1)B2OC(C)(C)C(C)(C)O2
- CAS DataBase Reference
- 171364 · 171364-79-7
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- wgk
- WGK 3
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Usessuzuki reaction
Uses4-Methoxyphenylboronic Acid Pinacol Ester is an arylboronate ester used in the copper-catalyzed alkylation and arylation of chiral propargylic phosphates as well as in Suzuki-Miyaura coupling reaction.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Maison Chemical Co.,Ltd.+86-008615511852758 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
4 records
Compound notes
Loading…