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CAS Number: 108847-20-7
dibenzo[b,d]thiophen-4-ylboronic acid

Structure

dibenzo[b,d]thiophen-4-ylboronic acid
Name: dibenzo[b,d]thiophen-4-ylboronic acid
Synonyms:
General Information
Product Number: 108847207
CAS Registry Number: 108847-20-7
Name:
        Boronic acid, B-​4-​dibenzothienyl-
        4-​Dibenzothiopheneboro​nic acid (6CI); Boronic acid, 4-​dibenzothienyl- (9CI); 4-​(Dibenzothienyl)​boronic acid; Dibenzo[b,​d]​thiophene-​4-​ylboronic acid 
 
Chemical Formula: C12H9BO2S
Exact Mass: 228.04
Molecular Weight: 228.07
m/z: 228.04 (100.0%), 227.05 (24.8%), 229.04 (14.9%), 230.04 (4.8%), 228.05 (3.3%), 230.05 (1.2%)
Elemental Analysis: C, 63.19; H, 3.98; B, 4.74; O, 14.03; S, 14.06
 
InChI: InChI=1S/C13H15BrO4S/c1-3-17-12(15)10(13(16)18-4-2)7-11-9(8-14)5-6-19-11/h5-7H,3-4,8H2,1-2H3
InChIKey: ADBJZPBDGYLFRT-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C(=CC1=C(C=CS1)CBr)C(=O)OCC
 
Thermal Properties Value Condition Note
Melting Point 337-339 °C   (3)CAS

Specification

98%

References
  1. (1) Reich, Hans J.; Helvetica Chimica Acta 2002, V85(11), P3748-3772 CAPLUS
  2. (2) Murphy, Ryan C.; ACS Medicinal Chemistry Letters 2010, V1(7), P331-335 CAPLUS
  3. (3) Gilman, Henry; Journal of Organic Chemistry 1957, V22, P523-6 CAPLUS
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