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CAS No.: | 4242-18-6 |
---|---|
Name: | 5,6,7,8-Tetrahydronaphthalene-1-carboxylic acid |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C11H12O2 |
Molecular Weight: | 176.215 |
Synonyms: | 1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-;1-Naphthoic acid, 5,6,7,8-tetrahydro-;5.6.7.8-Tetrahydro-1-naphtoic acid;5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid;5,6,7,8-Tetrahydro-1-Naphthylenecarboxylic Acid;5,6,7,8--tetrahydro-1-naphthoic acid;tetralin-1-carboxylic acid; |
Density: | 1.184 g/cm3 |
Melting Point: | 148-152oC |
Boiling Point: | 336.8 °C at 760 mmHg |
Flash Point: | 154.2 °C |
Appearance: | White crystalline powder |
Hazard Symbols: | Xi |
PSA: | 37.30000 |
LogP: | 2.26360 |
8-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In acetic acid for 6h; | 75% |
With hydrogen; palladium on activated charcoal In acetic acid |
Conditions | Yield |
---|---|
With hydrogen; acetic acid; palladium 10% on activated carbon at 80 - 85℃; under 2942.29 - 3677.86 Torr; | 74.3% |
PtO2 In acetic acid | 67% |
With hydrogen; acetic acid; palladium on activated charcoal at 85℃; under 2585.7 Torr; | 60% |
8-(2-Oxazolinyl)tetralin
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water for 18h; Heating; | 72% |
1-naphthalenecarboxylic acid
A
tetralin-1-carboxylic acid
B
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
Conditions | Yield |
---|---|
With nickel; sodium carbonate at 75℃; under 128714 Torr; Hydrogenation; | |
With ethanol; nickel at 75℃; under 128714 Torr; Hydrogenation; |
5,6,7,8-tetrahydro-naphthalene-1-carbaldehyde
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
Conditions | Yield |
---|---|
With permanganate(VII) ion | |
(oxidation); |
5,6,7,8-tetrahydronaphthalene-1-carbonitrile
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride at 120℃; im Rohr; |
5,6,7,8-tetrahydronaphthalene-1-carbonitrile
A
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
B
5,6,7,8-tetrahydro-[1]naphthamide
Conditions | Yield |
---|---|
With potassium hydroxide at 160 - 170℃; Trennung durch Behandeln mit Sodaloesung; |
Conditions | Yield |
---|---|
With diethyl ether; lithium Behandeln des Reaktionsgemisches mit festem CO2; |
1-naphthoic anhydride
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
Conditions | Yield |
---|---|
With hydrogen; palladium In acetic acid |
2,3,4-Trichlor-naphthoesaeure
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide; nickel |
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This product is an organic compound with the formula C11H12O2. The IUPAC name of this chemical is 5,6,7,8-tetrahydronaphthalene-1-carboxylic acid. With the CAS registry number 4242-18-6, it is also named as 1-naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-. The product's categories are Naphthalene Derivatives; Intermediates of palonosetron Hydrochloride; Organic Acids; API Intermediates. In addition, the molecular weight is 176.21.
The other characteristics of 5,6,7,8-Tetrahydronaphthalene-1-carboxylic acid can be summarized as: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 17.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 116.28; (8)ACD/KOC (pH 7.4): 3.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 49.96 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 19.8×10-24 cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.184 g/cm3; (19)Flash Point: 154.2 °C; (20)Enthalpy of Vaporization: 61.21 kJ/mol; (21)Boiling Point: 336.8 °C at 760 mmHg; (22)Vapour Pressure: 4.3E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c1cccc2c1CCCC2
2. InChI:InChI=1/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H,12,13)
3. InChIKey:GCFQXKYHWFWGSB-UHFFFAOYAC
4. Std. InChI:InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H,12,13)
5. Std. InChIKey:GCFQXKYHWFWGSB-UHFFFAOYSA-N