531197
Ethyl 6-chloropyridine-3-carboxylate
97%
Manufacturer: Sigma Aldrich
CAS Number: 49608-01-7
Synonym(S): Ethyl 6-chloronicotinate
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 25 G | 531197-25-G | In Stock | ₹ 8,367.73 |
531197 - 25 G
In Stock
Quantity
1
Base Price: ₹ 8,367.73
GST (18%): ₹ 1,506.191
Total Price: ₹ 9,873.921
Assay
97%
mp
26-30 °C (lit.)
SMILES string
CCOC(=O)c1ccc(Cl)nc1
InChI
1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
InChI key
ILDJJTQWIZLGPO-UHFFFAOYSA-N
Description
- General description: Ethyl 6-chloropyridine-3-carboxylate (Ethyl-6-chloronicotinate, E-6-ClN) undergoes direct amidation on reacting with benzylamine in the presence lanthanum trifluoromethanesulfonate La(OTf)3.[1] The structural and physicochemical properties of E-6-ClN have been investigated based on its spectroscopic data, time-dependent density functional theory and density of state diagrams.[2]
- Application: Ethyl 6-chloropyridine-3-carboxylate (Ethyl 6-chloronicotinate) may be used in the preparation of ethyl 5-{[5-(1H-benzimidazol-2-yl)pyridin-2-yl]ethynyl}pyridine-2-carboxylate by reacting with 2-[6-(ethynyl)pyridin-3-yl]-1H-benzimidazole under microwave irradiation.[3]
SAFETY INFORMATION
Pictograms
Signal Word
Warning
Hazard Statements
Precautionary Statements
P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
WGK
WGK 3
Flash Point(F)
closed cup
Flash Point(C)
closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
Show Difference
Assay: 97%
mp: 26-30 °C (lit.)
SMILES string: CCOC(=O)c1ccc(Cl)nc1
InChI: 1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
InChI key: ILDJJTQWIZLGPO-UHFFFAOYSA-N
Assay:
97%
mp:
26-30 °C (lit.)
SMILES string:
CCOC(=O)c1ccc(Cl)nc1
InChI:
1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
InChI key:
ILDJJTQWIZLGPO-UHFFFAOYSA-N
Assay: __
mp: __
SMILES string: __
InChI: 1S/C4H2O3.C4H8/c5-3-1-2-4(6)7-3;1-4(2)3/h1-2H;1H2,2-3H3
InChI key: RPOCFUQMSVZQLH-UHFFFAOYSA-N
Assay:
__
mp:
__
SMILES string:
__
InChI:
1S/C4H2O3.C4H8/c5-3-1-2-4(6)7-3;1-4(2)3/h1-2H;1H2,2-3H3
InChI key:
RPOCFUQMSVZQLH-UHFFFAOYSA-N
Assay: __
mp: __
SMILES string: __
InChI: __
InChI key: __
Assay:
__
mp:
__
SMILES string:
__
InChI:
__
InChI key:
__
Assay: 95%
mp: 147-153 °C (lit.)
SMILES string: C[C@H](NC(=O)OCC1c2ccccc2-c3ccccc13)C(O)=O
InChI: __
InChI key: __
Assay:
95%
mp:
147-153 °C (lit.)
SMILES string:
C[C@H](NC(=O)OCC1c2ccccc2-c3ccccc13)C(O)=O
InChI:
__
InChI key:
__