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CAS Number: 75308-46-2
tert-butyl 2,6-dichloroisonicotinate

Structure

tert-butyl 2,6-dichloroisonicotinate
Name: tert-butyl 2,6-dichloroisonicotinate
Synonyms:
General Information
Product Number: 75308462

CAS Registry Number: 75308-46-2

Name:

4-​Pyridinecarboxylic acid, 2,​6-​dichloro-​, 1,​1-​dimethylethyl ester
2,​6-​Dichloroisonicotinic acid tert-​butyl ester; tert-​Butyl 2,​6-​dichloro-​4-​pyridinecarboxylate; tert-​Butyl 2,​6-​dichloroisonicotinat​e 

 

Chemical Formula: C10H11Cl2NO2
Exact Mass: 247.02
Molecular Weight: 248.11
m/z: 247.02 (100.0%), 249.01 (63.9%), 248.02 (11.0%), 251.01 (10.2%), 250.02 (7.1%), 252.01 (1.1%)

 

InChI: InChI=1S/C10H11Cl2NO2/c1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6/h4-5H,1-3H3
InChIKey: PLRVIRHWKQKSAK-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)C1=CC(=NC(=C1)Cl)Cl

 

Thermal Properties Value Condition Note
Melting Point 75-78 °C   (2)CAS

Specification

98%

References
  1. (1) McDermott, Todd S.; Organic Process Research & Development 2009, V13(6), P1145-1155 CAPLUS
  2. (2) Lorimer, Anna V.; Synthesis 2008, (17), P2764-2770 CAPLUS
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