Basic information
- CAS
916587-44-5- Standard SMILES
CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
MWNMXMKLILKYOS-UHFFFAOYSA-N- Molecular formula
- C18H28BNO4
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 333.21113878
Names & identifiers
- Preferred name
- tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
- IUPAC
- tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
- English name
- Methyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-carbamic acid tert-butyl ester
- Molecular formula
- C18H28BNO4
- Molecular weight
- 333.23
Names & synonyms
916587-44-5tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamateTert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamatetert-Butyl-N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateMFCD034904984-(tert-butoxycarbonyl-n-methylamino)phenylboronic acid, pinacol ester4-(BOC-Methylamino)phenylboronic acid, pinacol ester(4-boc-n-methyl-aminophenyl)boronic acid pinacol esterTERT-BUTYL METHYL[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CARBAMATEmethyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-carbamic acid tert-butyl esterSCHEMBL484122DTXSID60405739
Show more names
4-(BOC-Methylamino)phenylboronic acid,pinacol ester4-(Methylamino)benzeneboronic acid, pinacol ester, N-BOC protectedt-Butyl-n-methyl-n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateCarbamic acid, N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 83 · 83-84 °C
- Boiling point
- 421.6 · 421.6±28.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.2 · -0.20±0.50(Predicted)
- Appearance
- Off-white to pale purple Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H413
- Precautionary statements
- 261 · P261-P272-P273-P280-P302+P352-P333+P313-P363-P501
- HS Code
- 2931900090 · 2931900090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H413
- Precautionary statements
- P261-P272-P273-P280-P302+P352-P333+P313-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
上海康恩博医药科技有限公司17510465506 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
Related reactions
17 records
Compound notes
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