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116668-47-4

Basic Information
CAS No.: 116668-47-4
Name: 6-AMINO-2-NAPHTHOIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 116668-47-4 (6-AMINO-2-NAPHTHOIC ACID)
Formula: C11H9NO2
Molecular Weight: 187.198
Synonyms: 6-Amino-2-naphthoic Acid;
Density: 1.352 g/cm3
Melting Point: 206-209 °C(lit.)
Boiling Point: 416.7 °C at 760 mmHg
Flash Point: 205.8 °C
Appearance: beige-greenish to brown powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 63.32000
LogP: 2.70140
Synthetic route
71590-34-6

6-acetylamino-[2]naphthonitrile

116668-47-4

6-amino-2-naphthoic acid

Conditions
ConditionsYield
With sulfuric acid; acetic acid
5783-91-5

6-nitro-[2]naphthoic acid

116668-47-4

6-amino-2-naphthoic acid

Conditions
ConditionsYield
With hydrogenchloride; acetic acid; tin(ll) chloride
46816-16-4

6-acetylamino-[2]naphthoic acid

116668-47-4

6-amino-2-naphthoic acid

Conditions
ConditionsYield
With hydrogenchloride
71590-32-4

N-(6-bromo-[2]naphthyl)-acetamide

116668-47-4

6-amino-2-naphthoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: CuCN; pyridine
2: H2SO4; acetic acid
View Scheme

6-nitro-[2]naphthonitrile

116668-47-4

6-amino-2-naphthoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aqueous acetic acid; H2SO4
2: SnCl2+2H2O; HCl; acetic acid
View Scheme
83008-10-0

N-(6-methyl-[2]naphthyl)-acetamide

116668-47-4

6-amino-2-naphthoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: permanganate; aqueous magnesium sulfate
2: diluted hydrochloric acid
View Scheme
50-00-0

formaldehyd

116668-47-4

6-amino-2-naphthoic acid

5043-05-0

6-(N,N-dimethylamino)-2-naphthoic acid

Conditions
ConditionsYield
With sodium cyanoborohydride In methanol; water at 20℃; for 0.5h;100%
With sodium cyanoborohydride In methanol at 0 - 25℃; for 2.16667h; Inert atmosphere;95%
With sodium cyanoborohydride; acetic acid In methanol at 0℃; for 2h;88%
With sodium cyanoborohydride; acetic acid In methanol; water at 20℃; Cooling with ice;87%
116668-47-4

6-amino-2-naphthoic acid

74-88-4

methyl iodide

5043-06-1

methyl 6-(dimethylamino)-2-naphthoate

Conditions
ConditionsYield
Stage #1: 6-amino-2-naphthoic acid; methyl iodide With sodium carbonate In N,N-dimethyl-formamide at 110℃; for 16h; Inert atmosphere;
Stage #2: With 1,4-diaza-bicyclo[2.2.2]octane In N,N-dimethyl-formamide at 100℃; for 4h; Inert atmosphere;
99%
24424-99-5

di-tert-butyl dicarbonate

116668-47-4

6-amino-2-naphthoic acid

516465-99-9

6-[(tert-butoxycarbonyl)-amino]-2-naphthoic acid

Conditions
ConditionsYield
With sodium hydroxide In water; tert-butyl alcohol at 20℃; for 12h;98%
With sodium hydroxide In 1,4-dioxane for 16h;76%
With hydrogenchloride; NaOH In water; tert-butyl alcohol
67-56-1

methanol

116668-47-4

6-amino-2-naphthoic acid

5159-59-1

methyl 6-amino-2-naphthoate

Conditions
ConditionsYield
With sulfuric acid Reflux;96%
With sulfuric acid for 1.5h; Heating;95%
With sulfuric acid for 36h; Reflux;92%
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    6-AMINO-2-NAPHTHOIC ACID Chemical Properties Melting point 206-209 °C (lit.) Boiling point 321.94°C (rough estimate) density 1.1963 (rough estimate) refractive index 1.4900 (estimate) storage temp. Keep in dark place,Inert

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    6-AMINO-2-NAPHTHOIC ACID

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  • 2-Naphthalenecarboxylicacid, 6-amino-

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    2-Naphthalenecarboxylicacid, 6-amino-

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Specification

The 2-Naphthalenecarboxylicacid, 6-amino-, with the CAS registry number of 116668-47-4, is also known as 6-Amino-2-naphthoic Acid. It belongs to the product categories of Aminoacid; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Its molecular formula is C11H9NO2 and molecular weight is 187.19. What's more, its IUPAC name is 6-Aminonaphthalene-2-carboxylic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the 2-Naphthalenecarboxylicacid, 6-amino- are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1.36; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.02; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 55.26 cm3; (15)Molar Volume: 138.3 cm3; (16)Surface Tension: 69.2 dyne/cm; (17)Density: 1.352 g/cm3; (18)Flash Point: 205.8 °C; (19)Enthalpy of Vaporization: 70.64 kJ/mol; (20)Boiling Point: 416.7 °C at 760 mmHg; (21)Vapour Pressure: 1.08E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc2c(c1)ccc(N)c2
(2) InChI: InChI=1/C11H9NO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,12H2,(H,13,14)
(3) InChIKey: NZTPZUIIYNYZKT-UHFFFAOYAN