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CAS Number: 5371-70-0
dimethyl 4-chloropyridine-2,6-dicarboxylate

Structure

dimethyl 4-chloropyridine-2,6-dicarboxylate
Name: dimethyl 4-chloropyridine-2,6-dicarboxylate
Synonyms:
General Information
Product Number: 5371700
CAS Registry Number: 5371-70-0
Name:
        2,​6-​Pyridinedicarboxylic acid, 4-​chloro-​, 2,​6-​dimethyl ester
        2,​6-​Pyridinedicarboxylic acid, 4-​chloro-​, dimethyl ester (6CI,​7CI,​8CI,​9CI); 2,​6-​Bis(carbomethoxy)​-​4-​chloropyridine; 4-​Chloro-​2,​6-​pyridinedicarboxylic acid dimethyl ester; Dimethyl 4-​chloropyridine-​2,​6-​dicarboxylate; NSC 41773 
 
Chemical Formula: C9H8ClNO4
Exact Mass: 229.01
Molecular Weight: 229.62
m/z: 229.01 (100.0%), 231.01 (32.0%), 230.02 (10.0%), 232.01 (3.2%), 231.02 (1.3%)
Elemental Analysis: C, 47.08; H, 3.51; Cl, 15.44; N, 6.10; O, 27.87
 
InChI: InChI=1S/C9H8ClNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3
InChIKey: NFXKYKHKNUFOKB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CC(=N1)C(=O)OC)Cl
 
Thermal Properties Value Condition Note
Melting Point 168 °C   (3)CAS
Melting Point 143-144 °C   (4)CAS
Melting Point 143-144 °C   (5)CAS
Melting Point 142.2-142.4 °C   (2)IC
Melting Point 142 °C   (6)CAS
Melting Point 139-141 °C Solv: methanol (67-56-1) (7)CAS
Melting Point 138-140 °C   (8)CAS
Melting Point See full text   (1)CAS
 

Specification

98%

References
  1. (1) Chessa, Gavino; Tetrahedron 2005, V61(7), P1755-1763 CAPLUS
  2. (2) Kittaka, Atsushi; Tetrahedron 1988, V44(10), P2821-33 CAPLUS
  3. (3) Graf, Roderich; Journal fuer Praktische Chemie (Leipzig) 1937, V148, P13-23 CAPLUS
  4. (4) Tedeschi, Ralph E.; US 3329569 1967 CAPLUS
  5. (5) GB 1020060 1966 CAPLUS
  6. (6) Omote, Yoshimori; Bulletin of the Chemical Society of Japan 1967, V40(7), P1695-7 CAPLUS
  7. (7) Kupai, Jozsef; ARKIVOC (Gainesville, FL, United States) 2011, (9), P77-93 CAPLUS
  8. (8) Bhattacharya, Santanu; Journal of Organic Chemistry 1998, V63(1), P27-35 CAPLUS
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