CAS 480424-71-3|tert-Butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate|tert-butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate|(2-tert-Butoxycarboxy)benzeneboronic aci...

General Information

Structure

Molecular Formula

C₁₇H₂₅BO₅

Molecular Mass

320.1884

Exact Mass

320.1795043

Charge

InChI

InChI=1S/C17H25BO5/c1-15(2,3)21-14(19)20-13-11-9-8-10-12(13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3

InChIKey

JWSZKSKLMRKJHM-UHFFFAOYSA-N

Canonic Smiles

O=C(OC(C)(C)C)Oc1ccccc1B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(c2c(cccc2)OC(=O)OC(C)(C)C)OC(C)(C)C(O1)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.8584

LogD (pH = 7.4)

4.8584

Log P

4.8584

Molar Refractivity

82.2747

Polarizability

34.646694

Polar Surface Area

53.99

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

tert-Butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate(2-tert-Butoxycarboxy)benzeneboronic acid, pinacol ester2-(叔丁氧基羰氧基)苯硼酸频哪酯2-(tert-Butoxycarboxy)benzeneboronic acid pinacol ester2-(tert-Butoxycarboxyphenyl)boronic acid pinacol ester2-(叔丁氧基羰基氧)苯基硼酸频哪醇酯2-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯基碳酸叔丁酯tert-Butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbonate叔丁基-2-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯基碳酸酯tert-Butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate2-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester

IUPAC Traditional name

tert-butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate

IUPAC name

tert-butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate

Names and Identifiers

Registration numbers

MDL Number

MFCD03453657

PubChem CID

2773953

PubChem SID

16204006324880536