HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Chloromethyl)-5-methoxypyridine
2-(CHLOROMETHYL)-5-METHOXY-PYRIDINE · Pyridine, 2-(chloroMethyl)-5-Methoxy-
Identifiers & Physical Properties
| CAS No. | 75342-33-5 |
|---|---|
| Molecular formula | C7H8ClNO |
| Average molar mass | 157.6 g/mol |
| Monoisotopic mass | 157.0294416 g/mol |
| SMILES | COc1ccc(CCl)nc1 |
| InChIKey | KSBXDCBRSKRVDC-UHFFFAOYSA-N |
| PubChem CID | 14517153 |
| DTXSID | DTXSID00561207 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 22.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 99 |
| Boiling point | 240.0±25.0 °C(Predicted) |
| Density | 1.173±0.06 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,Store in freezer, under -20°C |
| pKa (acidity coefficient) | 2.23±0.10(Predicted) |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302+H312-H314 |
| GHS precautionary statements | P260-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P362+P364-P405-P501 |
| Customs code | 2933399990 |
Safety & Regulations
| Customs code | 2933399990 |
|---|---|
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| GHS hazard statements | H302+H312-H314 |
| GHS precautionary statements | P260-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P362+P364-P405-P501 |
Applications & Uses
Uses
2-(Chloromethyl)-5-methoxypyridine is a pharmaceutical intermediate that can be used in the preparation of compounds for the treatment of pain, particularly neuropathic pain or other diseases or disorders associated with AT2R-mediated signalling. This compound can be used in the synthesis of 2-fluoro-4-isobutyl-6-(4-((5-methoxypyridin-2-yl)methyl)piperazin-1-yl)benzonitrile via a nucleophilic substitution reaction.
Preparation & Synthesis
Preparation
2-(Chloromethyl)-5-methoxypyridine is prepared from (5-methoxy-2-pyridyl)methanol and SOCl2 as starting materials.