Basic information
- CAS
212127-83-8- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C1- InChIKey
OIZXJJIHVIYNKZ-UHFFFAOYSA-N- Molecular formula
- C15H26BNO4
- Average molar mass
- 295.18 g/mol
- Monoisotopic mass
- 295.1954885
Names & identifiers
- Preferred name
- tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate
- IUPAC
- tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate
- English name
- 1-Boc-2,5-Dihydro-1H-pyrrole-3-boronic acid, pinacol ester
- Molecular formula
- C15H26BNO4
- Molecular weight
- 295.18
Names & synonyms
TERT-BUTYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXYLATEDTXSID90578748RefChem:1099523DTXCID10529515212127-83-8tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylatetert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-1H-pyrrole-1-carboxylateMFCD106979181-BOC-2,5-Dihydro-1H-pyrrole-3-boronic acid, pinacol estertert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)-2,5-dihydro-1H-pyrrole-1-carboxylateC15H26BNO42,5-Dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1-carboxylic Acid 1,1-Dimethy
Show more names
(containing ca. 50% 4,5-dihydro isomer)tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl(1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL)BORONIC ACID PINACOL ESTER3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXYLATEtert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-pyrrole-1-carboxylate
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 330.5 · 330.5±52.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- -1.18 · -1.18±0.40(Predicted)
- form
- solid
- color
- Off-white to light yellow
- InChI
- InChI=1S/C15H26BNO4/c1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16/h8H,9-10H2,1-7H3
- InChIKey
- OIZXJJIHVIYNKZ-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC=C(B2OC(C)(C)C(C)(C)O2)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P312-P304+P340
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P301+P312-P304+P340
Chemistry & industry
Applications
Uses1-Boc-2,5-Dihydro-1H-pyrrole-3-boronic acid, pinacol ester can be used in the synthesis of series of kinase inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海钰源生物化学有限公司021-13814116 13814116708 · [email protected]
Related reactions
6 records
Compound notes
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