CAS 124473-12-7 2-(Chloromethyl)-4-methoxy-3-methylpyridine--hydrogen chloride (1/1) (HCID 11513982)

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Basic information

CAS: 124473-12-7
Standard SMILES: COc1ccnc(CCl)c1C.Cl
InChIKey: WHAGSNVVBXOIGQ-UHFFFAOYSA-N
Molecular formula: C8H11Cl2NO
Average molar mass: 208.08 g/mol
Monoisotopic mass: 207.02176933

Names & identifiers

Preferred name: 2-(Chloromethyl)-4-methoxy-3-methylpyridine--hydrogen chloride (1/1)
IUPAC: 2-(chloromethyl)-4-methoxy-3-methylpyridine;hydrochloride
English name: 2-Chloromethyl-3-Methyl-4-Methoxypyridine
Molecular formula: C8H10ClNO
Molecular weight: 171.62

Names & synonyms

DTXSID409248122-(Chloromethyl)-4-methoxy-3-methylpyridine--hydrogen chloride (1/1)RefChem:1061524DTXCID301353645124473-12-72-(chloromethyl)-4-methoxy-3-methylpyridine hydrochloride86604-74-2Ilaprazole Impurity HCl2-Chloromethyl-4-methoxy-3-methylpyridine hydrochlorideMFCD03425333Pyridine, 2-(chloromethyl)-4-methoxy-3-methyl-, hydrochloride2-Chloromethyl-4-methoxy-3-methylpyridine HCl

Show more names

Eprazole impurity 31Ilaprazole Intermediate 1Rabeprazole Mercapto Impurity 12-chloromethyl-3-methyl-4-methoxypyridine-Chloromethyl-4-methoxy-3-methyl-pyridine2-Chloromethyl-4-methoxy-3-methyl-pyridinePyridine, 2-(chloromethyl)-4-methoxy-3-methyl4-Methoxy-3-Methyl-2-Chloromethyl Pyridine HClRabeprazole Impurity 23(Ilaprazole Intermediate 1)

2-(chloromethyl)-4-methoxy-3-methylpyridine;hydrochloride2-Chloromethyl-3-methyl-4-methoxypyridine hydrochlorideWHAGSNVVBXOIGQ-UHFFFAOYSA-N2-(Chloromethyl)-4-methoxy-3-methylpyridine Hydrochloride (1:1); Pyridine, 2-(chloromethyl)-4-methoxy-3-methyl-, hydrochloride (9CI); 2-(Chloromethyl)-4-methoxy-3-methylpyridine hydrochlorideIlaprazole IntermediatesIlaprazole IntermediateRabeprazole impurity 21Rabeprazole Impurity 5 HCl

Properties

Computed structural properties

Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 145 · 145-149°C (dec.)
Boiling point: 257.5 · 257.5±35.0 °C(Predicted)
Density: 1.139 · 1.139±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform, Methanol
pka: 5.29 · 5.29±0.30(Predicted)
form: Solid
color: White
InChI: InChI=1S/C8H10ClNO/c1-6-7(5-9)10-4-3-8(6)11-2/h3-4H,5H2,1-2H3
InChIKey: UIRCDHHEYPUZGA-UHFFFAOYSA-N
SMILES: C1(CCl)=NC=CC(OC)=C1C

Chemistry & industry

Applications

Uses2-Chloromethyl-4-methoxy-3-methylpyridine is a pyridine derivative used in the preparation of anti-ulcerative agents and other pharmaceutical compounds.

Uses2-CHLOROMETHYL-4-METHOXY-3-METHYLPYRIDINE HYDROCHLORIDE is used in the preparation of anti-ulcerative agents and other pharmaceutical compounds.