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4242-18-6

Basic Information
CAS No.: 4242-18-6
Name: 5,6,7,8-Tetrahydronaphthalene-1-carboxylic acid
Article Data: 29
Molecular Structure:
Molecular Structure of 4242-18-6 (5,6,7,8-Tetrahydronaphthalene-1-carboxylic acid)
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
Synthetic route
74145-11-2

8-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In acetic acid for 6h;75%
With hydrogen; palladium on activated charcoal In acetic acid
86-55-5

1-naphthalenecarboxylic acid

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions
ConditionsYield
With hydrogen; acetic acid; palladium 10% on activated carbon at 80 - 85℃; under 2942.29 - 3677.86 Torr;74.3%
PtO2 In acetic acid67%
With hydrogen; acetic acid; palladium on activated charcoal at 85℃; under 2585.7 Torr;60%
75934-22-4

8-(2-Oxazolinyl)tetralin

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions
ConditionsYield
With hydrogenchloride In water for 18h; Heating;72%
86-55-5

1-naphthalenecarboxylic acid

A

1914-65-4

tetralin-1-carboxylic acid

B

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions
ConditionsYield
With nickel; sodium carbonate at 75℃; under 128714 Torr; Hydrogenation;
With ethanol; nickel at 75℃; under 128714 Torr; Hydrogenation;
41828-13-1

5,6,7,8-tetrahydro-naphthalene-1-carbaldehyde

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions
ConditionsYield
With permanganate(VII) ion
(oxidation);
29809-13-0

5,6,7,8-tetrahydronaphthalene-1-carbonitrile

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions
ConditionsYield
With hydrogenchloride at 120℃; im Rohr;
29809-13-0

5,6,7,8-tetrahydronaphthalene-1-carbonitrile

A

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

B

13052-97-6

5,6,7,8-tetrahydro-[1]naphthamide

Conditions
ConditionsYield
With potassium hydroxide at 160 - 170℃; Trennung durch Behandeln mit Sodaloesung;
6134-55-0

5-bromotetralin

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions
ConditionsYield
With diethyl ether; lithium Behandeln des Reaktionsgemisches mit festem CO2;
64985-86-0

1-naphthoic anhydride

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions
ConditionsYield
With hydrogen; palladium In acetic acid
91064-96-9

2,3,4-Trichlor-naphthoesaeure

4242-18-6

5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions
ConditionsYield
With sodium hydroxide; nickel
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    5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

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    4242-18-6

    5,6,7,8-Tetrahydronaphthalene-1-carboxylic acid

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Specification

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