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16498-81-0

Basic Information
CAS No.: 16498-81-0
Name: 2-Methoxynicotinic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 16498-81-0 (2-Methoxynicotinic acid)
Formula: C7H7NO3
Molecular Weight: 153.137
Synonyms: 2-methoxypyridine-3-carboxylate;2-Methoxy Nicotinic Acid;2-Methoxy-nicotinic acid;
EINECS: 605-381-2
Density: 1.284 g/cm3
Melting Point: 146-150 °C(lit.)
Boiling Point: 285.5 °C at 760 mmHg
Flash Point: 126.5 °C
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36-36/37/38
Safety: 26-37/39
PSA: 59.42000
LogP: 0.78840
Synthetic route
2942-59-8

2-chloronicotinic acid

124-41-4

sodium methylate

16498-81-0

2-methoxynicotinic acid

Conditions
ConditionsYield
In methanol at 125℃; autoclave;64%
2942-59-8

2-chloronicotinic acid

16498-81-0

2-methoxynicotinic acid

Conditions
ConditionsYield
With sodium methylate In methanol; water
67367-26-4

2-methoxynicotinic acid methyl ester

16498-81-0

2-methoxynicotinic acid

Conditions
ConditionsYield
Stage #1: 2-methoxynicotinic acid methyl ester With water; sodium hydroxide In methanol for 2h; Reflux;
Stage #2: With hydrogenchloride In methanol; water pH=7;
16498-81-0

2-methoxynicotinic acid

53750-65-5

2-methoxypyridine-3-carbonyl chloride

Conditions
ConditionsYield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 - 27℃; for 2h; Inert atmosphere;98%
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 - 27℃; for 2h; Inert atmosphere;98%
With sulfuryl dichloride In dichloromethane for 2h; Heating;
16498-81-0

2-methoxynicotinic acid

111409-79-1

1-bromo-2-(triisopropylsilyl)acetylene

methyl 2-methoxy-4-((triisopropylsilyl)ethynyl)nicotinate

Conditions
ConditionsYield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; potassium carbonate at 90℃; for 14h;92%

(±)-ethyl 2-(5-methoxy-1,2,3,4,5,6-hexahydro-7H-2,6-methanoazocino[5,4-b]indol-7-yl)acetate

16498-81-0

2-methoxynicotinic acid

(±)-ethyl 2-(5-methoxy-3-(2-methoxynicotinoyl)-1,2,3,4,5,6-hexahydro-7H-2,6-methanoazocino[5,4-b]indol-7-yl)acetate

Conditions
ConditionsYield
Stage #1: 2-methoxynicotinic acid With thionyl chloride In N,N-dimethyl-formamide; toluene for 1h; Reflux;
Stage #2: (±)-ethyl 2-(5-methoxy-1,2,3,4,5,6-hexahydro-7H-2,6-methanoazocino[5,4-b]indol-7-yl)acetate With triethylamine In dichloromethane at 20℃;
92%
16498-81-0

2-methoxynicotinic acid

2-methoxy-5-iodonicotinic acid

Conditions
ConditionsYield
With N-iodo-succinimide; acetic acid at 35℃; for 16h;90%
1428155-03-6

N1-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)benzene-1,4-diamine

16498-81-0

2-methoxynicotinic acid

1428155-13-8

2-methoxy-N-(4-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-ylamino)phenyl)pyridine-3-carboxamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere;89%
16498-81-0

2-methoxynicotinic acid

13472-59-8

3-Bromo-2-methoxypyridine

Conditions
ConditionsYield
With potassium phosphate; tetrabuthylammonium tribromide In acetonitrile at 100℃;88%

methyl 5-amino-6-(4-(2,4-difluorophenoxy)piperidin-1-yl)nicotinate

16498-81-0

2-methoxynicotinic acid

methyl 6-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(2-methoxynicotinamido)nicotinate

Conditions
ConditionsYield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one; ethyl acetate at 60℃;88%
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Specification

The 2-Methoxynicotinic Acid, with its cas registry number 16498-81-0, has the systematic name of 2-methoxypyridine-3-carboxylic acid. And its product categories are various, including blocks; carboxes; pyridines; pyridine; niacin; organic acids; chiral chemicals.

The characteristics of this chemical are as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 48.42; (9)Index of Refraction: 1.549; (10)Molar Refractivity: 37.95 cm3; (11)Molar Volume: 119.1 cm3; (12)Polarizability: 15.04×10-24 cm3; (13)Surface Tension: 52.1 dyne/cm; (14)Density: 1.284 g/cm3; (15)Flash Point: 126.5 °C; (16)Enthalpy of Vaporization: 55.41 kJ/mol; (17)Boiling Point: 285.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0013 mmHg at 25°C; (19)Exact Mass: 152.034768; (20)MonoIsotopic Mass: 152.034768; (21)Topological Polar Surface Area: 62.2; (22)Heavy Atom Count: 11; (23)Formal Charge: -1; (24)Complexity: 143.

You should be cautious while dealing with this chemical. It is irritating to eyes, respiratory system and skin, and may cause inflammation to the skin or other mucous. So you had better take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=C(O)c1cccnc1OC
(2)InChI:InChI=1/C7H7NO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)
(3)InChIKey:FTEZJSXSARPZHJ-UHFFFAOYAP