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CAS Number: 1042917-51-0
tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,4-diazepane-1-carboxylate

Structure

tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,4-diazepane-1-carboxylate
Name: tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,4-diazepane-1-carboxylate
Synonyms:
General Information
Product Number: 1042917510

CAS Registry Number 1042917-51-0
Name:
1H-?1,?4-?Diazepine-?1-?carboxylic acid, hexahydro-?4-?[4-?(4,?4,?5,?5-?tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?phenyl]?-?, 1,?1-?dimethylethyl ester

 

Chemical Formula: C22H35BN2O4
Exact Mass: 402.27
Molecular Weight: 402.34
m/z: 402.27 (100.0%), 401.27 (24.8%), 403.27 (24.7%), 402.28 (6.0%), 404.28 (2.9%), 403.28 (1.3%), 404.27 (1.0%)

 

InChI:InChI=1S/C22H35BN2O4/c1-20(2,3)27-19(26)25-14-8-13-24(15-16-25)18-11-9-17(10-12-18)23-28-21(4,5)22(6,7)29-23/h9-12H,8,13-16H2,1-7H3

InChI Key:HAUHQMFBNQGAGJ-UHFFFAOYSA-N

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCCN(CC3)C(=O)OC(C)(C)C

Specification

98%

References

PCT Int. Appl. (2014), WO 2014006554 A1 20140109. 

PCT Int. Appl. (2008), WO 2008090181 A1 20080731.

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