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| CAS No.: | 16498-81-0 |
|---|---|
| Name: | 2-Methoxynicotinic acid |
| Molecular Structure: | |
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| 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: |
 Xi
|
| Risk Codes: | 36-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 59.42000 |
| LogP: | 0.78840 |
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| Conditions | Yield |
|---|---|
| In methanol at 125℃; autoclave; | 64% |
- 2942-59-8
2-chloronicotinic acid
- 16498-81-0
2-methoxynicotinic acid
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol; water |
- 67367-26-4
2-methoxynicotinic acid methyl ester
- 16498-81-0
2-methoxynicotinic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; potassium carbonate at 90℃; for 14h; | 92% |
- 16498-81-0
2-methoxynicotinic acid
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium phosphate; tetrabuthylammonium tribromide In acetonitrile at 100℃; | 88% |
- 16498-81-0
2-methoxynicotinic acid
| Conditions | Yield |
|---|---|
| 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