4-Ethoxynaphthalene-1-carboxylic acid
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4-Ethoxynaphthalene-1-carboxylic acid
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CAS No:
19692-24-1
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Formula:
C13H12O3
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Chemical Name:
4-Ethoxynaphthalene-1-carboxylic acid
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Synonyms:
4-Ethoxynaphthalene-1-carboxylic acid;4-ethoxy-1-naphthoic acid;4-Ethoxy-1-naphthalenecarboxylic acid
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CAS No:
4-Ethoxynaphthalene-1-carboxylic acid Basic Attributes
216.23258
259.105591
DTXSID20411735
2918990090
Characteristics
46.5
3.4
1.224±0.06 g/cm3(Predicted)
214 °C
397.4±15.0 °C(Predicted)
224.6±21.8 °C
1.534
7.72e-05 M
4-Ethoxynaphthalene-1-carboxylic acid Use and Manufacturing
Step B: Methyl 3-[(4-ethoxy-l-naphthoyl)amino]pyridine-2-carboxylate; 4-Ethoxy-1-naphthoic acid (7.0 mmol) in 50 mL CH2C12 was treated with oxalyl chloride (10 mL, 2.0 M in CH2C12, 20 mmol) at r. t for 1 hr, and then heated to 50 C for lhr. The reaction mixture was then condensed to afford 4-ethoxy-1-naphthalenecarbonyl chloride, which was added into a solution of3-amino-2-pyridinecarboxylic acid (7.0 mmol) and DIPEA (14 mmol) in DMF (40 mL) at 0 C. After stirred for 1 hr at r. t, and for 1 hr at 50 C, K2C03 (1.86 g, 14 mmol) was added into the reaction mixture, and followed by addition of MeI (3.1 mL, 50 mmol) in portion at r. t. After stirred overnight, the reaction mixture was condensed, and extracted by EtOAc, washed by brine, dried over MgS04. Removal of solvents provided a crude methyl 3-[(4-ethoxy-l-naphthoyl)amino]pyridine-2- carboxylate as a solid (2.25 g, 92 %), which was used directly in Step A.
Computed Properties
Molecular Weight:216.23
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:216.078644241
Monoisotopic Mass:216.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Ethoxynaphthalene-1-carboxylic acid
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