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CAS Number: 171364-80-0
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Structure

methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Name: methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Synonyms:
General Information
Product Number: 171364800

CAS Registry Number: 171364-80-0

Name:

Benzoic acid, 4-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-​, methyl ester
2-​(4-​Carbomethoxyphenyl)​-​4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolane; 2-​(4-​Methoxycarbonylpheny​l)​-​4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolane; 4-​(4,​4,​5,​5-​Tetramethyl-​[1,​3,​2]​dioxaborolan-​2-​yl)​benzoic acid methyl ester; Methyl 4-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​benzoate 

 

Chemical Formula: C14H19BO4
Exact Mass: 262.14
Molecular Weight: 262.11
m/z: 262.14 (100.0%), 261.14 (23.9%), 263.14 (15.0%), 264.14 (1.8%)
Elemental Analysis: C, 64.15; H, 7.31; B, 4.12; O, 24.42

 

InChI: InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3
InChIKey: REIZEQZILPXYKS-UHFFFAOYSA-N
Canonical SMILES : B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)OC

 

Thermal Properties Value Condition Note
Melting Point 80.7-81.7 °C   (4)CAS
Melting Point 79-80.5 °C   (8)CAS
Melting Point 78-79 °C   (12)CAS

 

Specification

98%

References
  1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
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