ChemicalBook--->CAS DataBase List--->73781-91-6

73781-91-6

73781-91-6 Structure

73781-91-6 Structure
IdentificationMore
[Name]

Methyl 6-chloronicotinate
[CAS]

73781-91-6
[Synonyms]

3-PYRIDINECARBOXYLIC ACID, 6-CHLORO-,METHYL ESTER
6-CHLORONICOTINIC ACID METHYL ESTER
METHYL 2-CHLOROPYRIDINE-5-CARBOXYLATE
METHYL 6-CHLORO-3-PYRIDINECARBOXYLATE
METHYL 6-CHLORONICOTINATE
METHYL 6-CHLOROPYRIDINE-3-CARBOXYLATE
TIMTEC-BB SBB005815
5-ChloronicotinicAcidMethylEster
methyl 6-chloro-3-picolinate
6-Chloronicotinic acid methyl ester C7H6ClNO2
Methyl 6-chloropyridine-3-carboxylate, Methyl 6-chloro-3-picolinate
6-Chloro-3-pyridinecarboxylic Acid Methyl Ester
Methyl 6-chloro-3-picolinate, Methyl 6-chloronicotinate
Methyl 6-chloronicotinate ,98%
6-Chloropyridine-3-carboxylic acid methyl ester
[EINECS(EC#)]

628-797-6
[Molecular Formula]

C7H6ClNO2
[MDL Number]

MFCD00023420
[Molecular Weight]

171.58
[MOL File]

73781-91-6.mol
Chemical PropertiesBack Directory
[Appearance]

Light brown crystals
[Melting point ]

86-90 °C(lit.)
[Boiling point ]

231.8±20.0 °C(Predicted)
[density ]

1.294±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

-2.07±0.10(Predicted)
[color ]

Off-White to Pale Yellow
[Usage]

Methyl 6-chloronicotinate is used as building block in chemical synthesis. Attributes Development Product Contact
[Detection Methods]

HPLC,NMR
[BRN ]

128648
[InChI]

InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3
[InChIKey]

RMEDXVIWDFLGES-UHFFFAOYSA-N
[SMILES]

C1=NC(Cl)=CC=C1C(OC)=O
[CAS DataBase Reference]

73781-91-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Methyl 6-chloronicotinate(73781-91-6)
Questions And AnswerBack Directory
[Preparation]

DBDMH (20 mmol) was added in portions to a mixture of 1b (5 mmol) and methanol (30 mL). The reaction was carried out at room temperature. After stirring the mixture for 12 hours, the methanol was evaporated under vacuum. The residue was dissolved in methyl tert-butyl ether (MTBE) (30 mL) and washed with water (3 × 30 mL). The organic extract was dried over anhydrous MgSO4, filtered, and concentrated under reduced pressure. The residue was purified by column chromatography (silica gel, petroleum ether/ethyl acetate, 30:1) to give Methyl 6-chloronicotinate: a white solid.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methyl 6-chloro-5-(trifluoroMethyl)nicotinate-->2-Chloropyridine-5-carbaldehyde-->Methyl 6-chloro-5-iodonicotinate-->Methyl 5,6-dichloronicotinate-->1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid-->5-(Methoxycarbonyl)pyridine-2-carboxylic acid-->Methyl 6-oxo-1,6-dihydro-3-pyridinecarboxylate-->Methyl 6-methoxynicotinate-->6-Chloronicotinoyl chloride-->Methyl chlorodifluoroacetate-->2-Chloro-5-hydroxymethylpyridine-->Methanol
[Preparation Products]

6-(1H-Pyrazol-1-yl)nicotinonitrile-->5-Chloromethyl-2-(pyrazol-1-yl)pyridine-->[6-(1H-Pyrazol-1-yl)pyridin-3-yl]methylamine-->(6-(1H-Pyrazol-1-yl)pyridin-3-yl)methanol-->6-(1H-Pyrazol-1-yl)nicotinic acid-->N-Methyl-6-(1H-pyrazol-1-yl)nicotinamide-->Methyl 6-(1H-pyrazol-1-yl)pyridine-3-carboxylate-->5,5'-diMethoxycarbonyl-2,2'-bipyridine
Hazard InformationBack Directory
[Chemical Properties]

Light brown crystals
[Uses]

Methyl 6-chloronicotinate is used as building block in chemical synthesis. Attributes Development Product Contact
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 6-chloronicotinate(73781-91-6)1HNMR
Methyl 6-chloronicotinate(73781-91-6)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 6-chloronicotinate, 98%(73781-91-6)
[Alfa Aesar]

Methyl 6-chloronicotinate, 98%(73781-91-6)
[Sigma Aldrich]

73781-91-6(sigmaaldrich)
[TCI AMERICA]

Methyl 6-Chloronicotinate,>98.0%(GC)(N)(73781-91-6)
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