Basic information
- CAS
914672-66-5- Standard SMILES
CC(C)(C)OC(=O)n1ccc(B2OC(C)(C)C(C)(C)O2)n1- InChIKey
AGQGGUKSXYRZFJ-UHFFFAOYSA-N- Molecular formula
- C14H23BN2O4
- Average molar mass
- 294.16 g/mol
- Monoisotopic mass
- 294.1750874
Names & identifiers
- Preferred name
- 1-tert-Butoxycarbonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)pyrazole
- IUPAC
- tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
- English name
- 1-tert-Butyloxycarbonylpyrazole-3-boronic acid pinacol ester
- Molecular formula
- C14H23BN2O4
- Molecular weight
- 294.15
Names & synonyms
1-tert-Butoxycarbonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)pyrazoleRefChem:436572800-687-4914672-66-5TERT-BUTYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXYLATEMFCD073680451-TERT-BUTYLOXYCARBONYLPYRAZOLE-3-BORONIC ACID PINACOL ESTERtert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate1-Boc-pyrazole-3-boronic acid pinacol ester3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTERSCHEMBL1947604DTXSID60673719
Show more names
1-Boc-pyridineazole-3-boronic acidolesterN-Boc-pyrazole-3-boronic acid pinacol ester1-TERT-BUTYROLYCARBONYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOLONE-2-YL)PYRAZOLE1-TERT-BUTYOXYCARBONYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-2-YL)PYRRAZOLE1H-Pyrazole-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
AGQGGUKSXYRZFJ-UHFFFAOYSA-NAKOS015946899AB31574AT11249BS-29717SY277181DB-110258CS-0175398
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 387.9 · 387.9±34.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- -1.34 · -1.34±0.12(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers40 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司
Related reactions
5 records
Compound notes
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