Basic information
- CAS
859169-20-3- Standard SMILES
CCOC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
RPRBNRDIESZHFL-UHFFFAOYSA-N- Molecular formula
- C16H23BO4
- Average molar mass
- 290.2 g/mol
- Monoisotopic mass
- 290.16893962
Overview
See other relationships...
Names & identifiers
- Preferred name
- Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
- IUPAC
- ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
- English name
- 4-(ethoxycarbonylmethyl)phenylboronic acid, pinaco
- Molecular formula
- C16H23BO4
- Molecular weight
- 290.16
Names & synonyms
DTXSID10674155Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateRefChem:1084678DTXCID20624904859169-20-3ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATE(4-Ethoxycarbonylmethylphenyl)boronic acid pinacol esterMFCD08704684ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate4-(ETHOXYCARBONYLMETHYL)PHENYLBORONIC ACID, PINACOL ESTER4-(ethoxycarbonylmethyl)phenylboronic acid, pinaco
Show more names
Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)(4-(2-ETHOXY-2-OXOETHYL)PHENYL)BORONIC ACID PINACOL ESTER4-(4-(Ethoxycarbonyl)phenyl)benzeneboronic acid neopentyl glycol ester2-[(4-Ethoxycarbonylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneEthyl 2-(4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)Phenyl)Acetate,>98%
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 377.7 · 377.7±25.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- InChI
- 1S/C16H23BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3
- InChIKey
- RPRBNRDIESZHFL-UHFFFAOYSA-N
- SMILES
- O=C(CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)OCC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2931900090 · 2931900090
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
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4-Ethoxycarbonylmethylphenylboronic acid, pinacol ester
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers86 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
Related reactions
71 records
Compound notes
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