tert-Butyl (5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

HCID 46737997

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Basic information

CAS: 1150561-75-3
Standard SMILES: Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)OC(C)(C)C)c1
InChIKey: WVTNHPZOSNRLET-UHFFFAOYSA-N
Molecular formula: C18H28BNO4
Average molar mass: 333.2 g/mol
Monoisotopic mass: 333.21113878

Names & identifiers

Preferred name: tert-Butyl (5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
IUPAC: tert-butyl N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
English name: 2-(BOC-Amino)-4-methylphenylboronic acid,pinacol
Molecular formula: C18H28BNO4
Molecular weight: 333.23

Names & synonyms

1150561-75-3tert-Butyl (5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamatetert-butyl N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateMFCD11044437Carbamic acid, N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl estertert-Butyl [5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate2-(Boc-amino)-4-methylphenylboronic acid pinacol ester2-(TERT-BUTOXYCARBONYLAMINO)-4-METHYLPHENYLBORONIC ACID, PINACOL ESTERSCHEMBL1062259DTXSID50674154WVTNHPZOSNRLET-UHFFFAOYSA-NAKOS015960319

Show more names

2-(BOC-AMINO)-4-METHYLPHENYLBORONIC ACID2-(BOC-Amino)-4-methylphenylboronic acid,pinacol2-(BOC-Amino)-4-methylphenylboronic acid, pinacol ester2-(tert-Butoxycarbonylamino)-4-methylphenylboronic acid pinacol ester

SB83442tert-butyl 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamateCS-04413182-(tert-Butoxycarbonylamino)-4-methylphenylboronic acid pinacol ester, AldrichCPRtert-Butyl(5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

Database identifiers

CAS: 1150561-75-3
PubChem CID: 46737997
DTXSID: DTXSID50674154
EC Number: 691-137-0

Properties

Computed structural properties

Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 456

Physicochemical properties

storage temp.: 2 · 2-8°C
form: solid
InChI: 1S/C18H28BNO4/c1-12-9-10-13(19-23-17(5,6)18(7,8)24-19)14(11-12)20-15(21)22-16(2,3)4/h9-11H,1-8H3,(H,20,21)
InChIKey: WVTNHPZOSNRLET-UHFFFAOYSA-N
SMILES: CC(O1)(C)C(C)(C)OB1C2=C(NC(OC(C)(C)C)=O)C=C(C)C=C2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

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, 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

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501