2-(Chloromethyl)-5-methoxypyridine
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Basic information
- CAS
75342-33-5- Standard SMILES
COc1ccc(CCl)nc1- InChIKey
KSBXDCBRSKRVDC-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO
- Average molar mass
- 157.6 g/mol
- Monoisotopic mass
- 157.0294416
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-5-methoxypyridine
- IUPAC
- 2-(chloromethyl)-5-methoxypyridine
- English name
- 2-(Chloromethyl)-5-methoxypyridine
- Molecular formula
- C7H8ClNO
- Molecular weight
- 157.6
Names & synonyms
2-(chloromethyl)-5-methoxypyridine75342-33-52-(CHLOROMETHYL)-5-METHOXY-PYRIDINEMFCD10697536Pyridine, 2-(chloromethyl)-5-methoxy-2-chloromethyl-5-methoxypyridineSCHEMBL1844115SCHEMBL299870126-chloromethyl-3-methoxypyridineDTXSID005612072-chloromethyl-5-methoxy-pyridineKSBXDCBRSKRVDC-UHFFFAOYSA-N
Show more names
AKOS006343755AB59864BS-13334SY317245DB-013926EN300-80011F11620F230715
Database identifiers
- CAS
75342-33-5- PubChem CID
- 14517153
- DTXSID
DTXSID00561207
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99
Physicochemical properties
- Boiling point
- 240 · 240.0±25.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 2.23 · 2.23±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312-H314
- Precautionary statements
- 260 · P260-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P362+P364-P405-P501
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302+H312-H314
- 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
Chemistry & industry
Applications
Uses2-(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 methods
Preparation2-(Chloromethyl)-5-methoxypyridine is prepared from (5-methoxy-2-pyridyl)methanol and SOCl2 as starting materials.
Upstream & downstream products
Downstream products
Related reactions
7 records
Compound notes
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