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CAS No.: | 85977-52-2 |
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Name: | (S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H12O2 |
Molecular Weight: | 176.215 |
Synonyms: | 1-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-, (S)- (9CI);D-(-)-1,2,3,4-Tetrahydro-1-naphthoic acid; |
Density: | 1.186 g/cm3 |
Melting Point: | 54-56 °C |
Boiling Point: | 342.7 °C at 760 mmHg |
Flash Point: | 156.4 °C |
Appearance: | Crystalline white or yellow powder |
Hazard Symbols: | Xi |
Risk Codes: | 22-36-51 |
Safety: | 26-24/25 |
PSA: | 37.30000 |
LogP: | 2.19110 |
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Conditions | Yield |
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With lithium hydroxide In tetrahydrofuran at 20℃; for 16h; Autoclave; Green chemistry; | 83% |
tetralin-1-carboxylic acid
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Conditions | Yield |
---|---|
With quinine In ethanol at 0 - 50℃; for 0.5h; | 43.6% |
nach Abtrennung des Cinchonin-Salzes der (R)-1.2.3.4-Tetrahydro-naphthoesaeure-(1) (s.o.) ueber das Chinin-Salz; | |
Multi-step reaction with 2 steps 1: water; ethanol / 2 h / Reflux 2: hydrogenchloride / water; ethyl acetate / 0.5 h View Scheme |
4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1: amalgamated zinc; aqueous HCl 2: nach Abtrennung des Cinchonin-Salzes der (R)-1.2.3.4-Tetrahydro-naphthoesaeure-(1) (s.o.) ueber das Chinin-Salz View Scheme |
1-naphthalenecarboxylic acid
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Conditions | Yield |
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Multi-step reaction with 3 steps 1.1: thionyl chloride / toluene; N,N-dimethyl-formamide / 4 h / 10 - 40 °C / Green chemistry 1.2: 2 h / 10 - 20 °C / Green chemistry 2.1: hydrogen; palladium 10% on activated carbon / tetrahydrofuran / 8 h / 60 °C / 15001.5 Torr / Autoclave; Green chemistry 3.1: lithium hydroxide / tetrahydrofuran / 16 h / 20 °C / Autoclave; Green chemistry View Scheme |
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen; palladium 10% on activated carbon / tetrahydrofuran / 8 h / 60 °C / 15001.5 Torr / Autoclave; Green chemistry 2: lithium hydroxide / tetrahydrofuran / 16 h / 20 °C / Autoclave; Green chemistry View Scheme |
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water; ethyl acetate for 0.5h; | 110 g |
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
ethyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate
2-[((S)-1,2,3,4-tetrahydro-naphthalene-1-carbonyl)-amino]-indan-2-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; | 100% |
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Conditions | Yield |
---|---|
With thionyl chloride In toluene at 60 - 65℃; for 2h; Reagent/catalyst; Inert atmosphere; | 100% |
With thionyl chloride In toluene at 35 - 70℃; for 2.5h; |
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
(S)-1-hydroxymethyl-1,2,3,4-tetrahydronaphthalene
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 2h; | 100% |
Multi-step reaction with 2 steps 1: sulfuric acid / 16 h / 60 °C 2: C33H29FeMnN2O3P; hydrogen; potassium carbonate / isopropyl alcohol / 21 h / 50 °C / 37503.8 Torr / Autoclave View Scheme |
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Conditions | Yield |
---|---|
With platinum(IV) oxide; hydrogen In acetic acid under 3000.3 Torr; | 100% |
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IUPAC Name: (1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Synonyms of (S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid (CAS NO.85977-52-2): 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-, (1S)- ;(S)-1,2,3,4-tetrahydro-1-naphtoic Acid
CAS NO: 85977-52-2
Molecular Formula: C11H12O2
Molecular Weight: 176.2118
Molecular Structure:
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 37.3 Å2
Index of Refraction: 1.576
Molar Refractivity: 49.14 cm3
Molar Volume: 148.5 cm3
Surface Tension: 48.9 dyne/cm
Density: 1.186 g/cm3
Flash Point: 156.4 °C
Enthalpy of Vaporization: 61.89 kJ/mol
Boiling Point: 342.7 °C at 760 mmHg
Vapour Pressure: 2.85E-05 mmHg at 25°C
Melting Point: 54-56°C
Appearance: White or light yellow sheet crystal .
SMILES: OC(=O)[C@H]2CCCc1ccccc12
InChI: InChI=1/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)/t10-/m0/s1
InChIKey: VDLWTJCSPSUGOA-JTQLQIEIBH
Std. InChI: InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)/t10-/m0/s1
Std. InChIKey: VDLWTJCSPSUGOA-JTQLQIEISA-N
Product Categories of (S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid (CAS NO.85977-52-2): INTERMEDIATESOFPALONOSETRONHYDROCHLORIDE;Carboxylic Acids & Deriv.;CHIRAL CHEMICALS
(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid (CAS NO.85977-52-2) is used as intermediate of palonosetron.
Hazard Codes: Xi