(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid supplier

Name
(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid
EINECS
CAS No. 85977-52-2
Article Data5
CAS DataBase
Density 1.186 g/cm³
Solubility
Melting Point 54-56 °C
Formula C₁₁H₁₂O₂
Boiling Point 342.7 °C at 760 mmHg
Molecular Weight 176.215
Flash Point 156.4 °C
Transport Information
Appearance Crystalline white or yellow powder
Safety 26-24/25
Risk Codes 22-36-51
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-, (S)- (9CI);D-(-)-1,2,3,4-Tetrahydro-1-naphthoic acid;
PSA 37.30000
LogP 2.19110

Synthetic route

: (R)-[1-ethoxy-1-carbonylpropan-2-yl]-(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid ester

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran at 20℃; for 16h; Autoclave; Green chemistry;	83%

: 1914-65-4
tetralin-1-carboxylic acid

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Conditions

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

: 3123-46-4
4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Conditions

Conditions	Yield
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

: 86-55-5
1-naphthalenecarboxylic acid

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Conditions

Conditions	Yield
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

: (R)-[1-ethoxy-1-carbonylpropan-2-yl]-1-naphthoic acid ester

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Conditions

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

: C11H12O2*C20H24N2O2

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride In water; ethyl acetate for 0.5h;	110 g

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 141104-65-6
ethyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate

: 1092447-54-5
2-[((S)-1,2,3,4-tetrahydro-naphthalene-1-carbonyl)-amino]-indan-2-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃;	100%

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: (S)-(-)-1,2,3,4-tetrahydro-1-naphthoyl chloride

Conditions

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;

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 151831-52-6
(S)-1-hydroxymethyl-1,2,3,4-tetrahydronaphthalene

Conditions

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

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: (1S)-decahydronaphthalene-1-carboxylic acid

Conditions

Conditions	Yield
With platinum(IV) oxide; hydrogen In acetic acid under 3000.3 Torr;	100%

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: (S)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

Conditions

Conditions	Yield
Stage #1: (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid With oxalyl dichloride; N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Stage #2: With ammonia In tetrahydrofuran; ethanol at 20℃; Inert atmosphere;	90%

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 111409-79-1
1-bromo-2-(triisopropylsilyl)acetylene

: (S)-8-((triisopropylsilyl)ethynyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Conditions

Conditions	Yield
With N-tert-butoxycarbonyl-L-phenylalanine; silver(I) acetate; sodium acetate; palladium diacetate In 1,2-dichloro-ethane at 60℃; for 16h; Sealed tube; Schlenk technique;	82%
With N-tert-butoxycarbonyl-L-phenylalanine; silver(I) acetate; sodium acetate; palladium diacetate In 1,2-dichloro-ethane at 60℃; for 16h;	82.24%

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 83417-23-6
3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine

: (S)-(5-amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 3h; regioselective reaction;	75%

: 64-17-5
ethanol

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: C13H16O2

Conditions

Conditions	Yield
With sulfuric acid at 60℃; for 16h;	52%

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 13625-39-3
1,3,8-triaza-spiro[4.5]decan-2,4-dione

: (S)-8-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 15h;	23.3%

: 109-83-1
(2-hydroxyethyl)(methyl)amine

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 780718-92-5
2-{Methyl-[(S)-1-(1,2,3,4-tetrahydro-naphthalen-1-yl)methyl]-amino}-ethanol

Conditions

Conditions	Yield
Multistep reaction;

: 186581-53-3, 908094-01-9
diazomethane

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: methyl (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylate

Conditions

Conditions	Yield
In diethyl ether

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 123932-21-8
(S)-2-methyl-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 1.) PCl5, 2.) AlCl3 / 1.) 1,2,4-trichlorobenzene, 120 deg C, 2.) 200 deg C, 3 h View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 123932-25-2
(S)-5-chloro-2-methyl-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: 1.) PCl5, 2.) AlCl3 / 1.) 1,2,4-trichlorobenzene, 120 deg C, 2.) 200 deg C, 3 h 3: chlorine, FeCl3*6H2O / acetonitrile / 0.25 h / 0 °C View Scheme
Multi-step reaction with 3 steps 2: 1.) PCl5, 2.) AlCl3 / 1.) 1,2,4-trichlorobenzene, 120 deg C, 2.) 200 deg C, 3 h 3: chlorine, FeCl3*6H2O / acetonitrile / 0.25 h / 0 °C View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 123932-23-0
(R)-5-chloro-2-methyl-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: 1.) PCl5, 2.) AlCl3 / 1.) 1,2,4-trichlorobenzene, 120 deg C, 2.) 200 deg C, 3 h 3: chlorine, FeCl3*6H2O / acetonitrile / 0.25 h / 0 °C View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 123932-29-6
(S)-7-chloro-2-methyl-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: 1.) PCl5, 2.) AlCl3 / 1.) 1,2,4-trichlorobenzene, 120 deg C, 2.) 200 deg C, 3 h 3: chlorine, FeCl3*6H2O / acetonitrile / 0.25 h / 0 °C View Scheme
Multi-step reaction with 3 steps 2: 1.) PCl5, 2.) AlCl3 / 1.) 1,2,4-trichlorobenzene, 120 deg C, 2.) 200 deg C, 3 h 3: chlorine, FeCl3*6H2O / acetonitrile / 0.25 h / 0 °C View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: N-(1-azabicyclo[2.2.2]oct-3-yl)-1,2,3,4-tetrahydronaphthalen-1-ylcarboxamide

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 7524-50-7
methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

: 1207325-89-0
C21H23NO3

Conditions

Conditions	Yield
Stage #1: (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃; for 0.666667h; Stage #2: methyl (2S)-2-amino-3-phenylpropanoate hydrochloride With 4-methyl-morpholine In tetrahydrofuran at 0 - 20℃;

: 277745-44-5
3-amino-3-(3-chlorophenyl)propionic acid methyl ester

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 1269634-46-9
C21H22ClNO3

Conditions

Conditions	Yield
Stage #1: (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrachloromethane at 0℃; Stage #2: 3-amino-3-(3-chlorophenyl)propionic acid methyl ester With 4-methyl-morpholine In tetrahydrofuran at 0 - 20℃;

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: (S)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: borane-THF / tetrahydrofuran / 55 °C / Inert atmosphere View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 1616267-17-4
methyl 3-{[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylmethyl]amino}pyridine-4-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: borane-THF / tetrahydrofuran / 55 °C / Inert atmosphere 3.1: caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene / 1,4-dioxane / 1.5 h / 128 °C / Microwave irradiation; Inert atmosphere View Scheme

Yield

Multi-step reaction with 3 steps
1.1: oxalyl dichloride; N,N-dimethyl-formamide / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere
1.2: 20 °C / Inert atmosphere
2.1: borane-THF / tetrahydrofuran / 55 °C / Inert atmosphere
3.1: caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene / 1,4-dioxane / 1.5 h / 128 °C / Microwave irradiation; Inert atmosphere
View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: 1616266-02-4
3-{[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylmethyl]amino}pyridine-4-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: borane-THF / tetrahydrofuran / 55 °C / Inert atmosphere 3.1: caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene / 1,4-dioxane / 1.5 h / 128 °C / Microwave irradiation; Inert atmosphere 4.1: sodium hydroxide / methanol / 1 h / 50 °C / Inert atmosphere View Scheme

Yield

Multi-step reaction with 4 steps
1.1: oxalyl dichloride; N,N-dimethyl-formamide / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere
1.2: 20 °C / Inert atmosphere
2.1: borane-THF / tetrahydrofuran / 55 °C / Inert atmosphere
3.1: caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene / 1,4-dioxane / 1.5 h / 128 °C / Microwave irradiation; Inert atmosphere
4.1: sodium hydroxide / methanol / 1 h / 50 °C / Inert atmosphere
View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: C19H25ClN2O

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: thionyl chloride / toluene / 2.5 h / 35 - 70 °C 2.1: toluene / 1.5 h / 70 °C / Industrial scale 3.1: boron trifluoride methanol complex; sodium tetrahydroborate / methanol / 3.3 h / -5 - 105 °C 3.2: 1 h / 70 °C / Cooling with ice 3.3: 35 °C 4.1: toluene / 12.08 h / 12 - 105 °C View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: palonosetron

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: thionyl chloride / toluene / 2.5 h / 35 - 70 °C 2.1: toluene / 1.5 h / 70 °C / Industrial scale 3.1: boron trifluoride methanol complex; sodium tetrahydroborate / methanol / 3.3 h / -5 - 105 °C 3.2: 1 h / 70 °C / Cooling with ice 3.3: 35 °C 4.1: toluene / 12.08 h / 12 - 105 °C 5.1: boron trifluoride methanol complex / 3.5 h / 40 - 105 °C / Industrial scale 5.2: 0.5 h / 105 °C / Industrial scale 5.3: Industrial scale View Scheme

Yield

Multi-step reaction with 5 steps
1.1: thionyl chloride / toluene / 2.5 h / 35 - 70 °C
2.1: toluene / 1.5 h / 70 °C / Industrial scale
3.1: boron trifluoride methanol complex; sodium tetrahydroborate / methanol / 3.3 h / -5 - 105 °C
3.2: 1 h / 70 °C / Cooling with ice
3.3: 35 °C
4.1: toluene / 12.08 h / 12 - 105 °C
5.1: boron trifluoride methanol complex / 3.5 h / 40 - 105 °C / Industrial scale
5.2: 0.5 h / 105 °C / Industrial scale
5.3: Industrial scale
View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: palonosetron hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: thionyl chloride / toluene / 2.5 h / 35 - 70 °C 2.1: toluene / 1.5 h / 70 °C / Industrial scale 3.1: boron trifluoride methanol complex; sodium tetrahydroborate / methanol / 3.3 h / -5 - 105 °C 3.2: 1 h / 70 °C / Cooling with ice 3.3: 35 °C 4.1: toluene / 12.08 h / 12 - 105 °C 5.1: boron trifluoride methanol complex / 3.5 h / 40 - 105 °C / Industrial scale 5.2: 0.5 h / 105 °C / Industrial scale 5.3: Industrial scale 6.1: hydrogenchloride / water / 0.08 h / Industrial scale View Scheme
Multi-step reaction with 4 steps 1.1: thionyl chloride / toluene / 2 h / 60 - 65 °C / Inert atmosphere 2.1: L-Selectride / tetrahydrofuran / 1 h / 5 - 15 °C / Inert atmosphere 3.1: ethanol / 4 h / 15 - 25 °C / Inert atmosphere 3.2: 2 h / 15 - 25 °C / Inert atmosphere 4.1: toluene / 14 h / 0 - 20 °C / Inert atmosphere 4.2: 5 h / 100 - 110 °C 4.3: 1 h / 100 - 110 °C View Scheme
Multi-step reaction with 4 steps 1.1: thionyl chloride / toluene / 2 h / 60 - 65 °C / Inert atmosphere 2.1: ethyl acetate / 2 h / 20 °C 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 2.5 h / 0 - 10 °C / Reflux 4.1: toluene / 14 h / 0 - 20 °C / Inert atmosphere 4.2: 5 h / 100 - 110 °C 4.3: 1 h / 100 - 110 °C View Scheme
Multi-step reaction with 3 steps 1.1: N,N-dimethyl-formamide; oxalyl dichloride / ethyl acetate / 1.05 h / 20 °C 1.2: 3 h / 50 °C 2.1: boron trifluoride diethyl etherate; sodium tetrahydroborate / tetrahydrofuran / 3 h / 15 - 65 °C 3.1: bis(trichloromethyl) carbonate / toluene / 3.5 h / Reflux 3.2: 4 h / Reflux 3.3: 2 h / Reflux View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: N-(1-azabicyclo[2.2.2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalene-1S-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: thionyl chloride / toluene / 2.5 h / 35 - 70 °C 2: toluene / 1.5 h / 70 °C / Industrial scale View Scheme
Multi-step reaction with 2 steps 1: thionyl chloride / toluene / 2 h / 60 - 65 °C / Inert atmosphere 2: ethyl acetate / 2 h / 20 °C View Scheme

: 85977-52-2
(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

: C18H26N2

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: thionyl chloride / toluene / 2.5 h / 35 - 70 °C 2.1: toluene / 1.5 h / 70 °C / Industrial scale 3.1: boron trifluoride methanol complex; sodium tetrahydroborate / methanol / 3.3 h / -5 - 105 °C 3.2: 1 h / 70 °C / Cooling with ice 3.3: 35 °C View Scheme
Multi-step reaction with 3 steps 1.1: thionyl chloride / toluene / 2 h / 60 - 65 °C / Inert atmosphere 2.1: L-Selectride / tetrahydrofuran / 1 h / 5 - 15 °C / Inert atmosphere 3.1: ethanol / 4 h / 15 - 25 °C / Inert atmosphere 3.2: 2 h / 15 - 25 °C / Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride / toluene / 2 h / 60 - 65 °C / Inert atmosphere 2: ethyl acetate / 2 h / 20 °C 3: lithium aluminium tetrahydride / tetrahydrofuran / 2.5 h / 0 - 10 °C / Reflux View Scheme
Multi-step reaction with 2 steps 1.1: N,N-dimethyl-formamide; oxalyl dichloride / ethyl acetate / 1.05 h / 20 °C 1.2: 3 h / 50 °C 2.1: boron trifluoride diethyl etherate; sodium tetrahydroborate / tetrahydrofuran / 3 h / 15 - 65 °C View Scheme

(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid Chemical Properties

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 Uses

(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid (CAS NO.85977-52-2) is used as intermediate of palonosetron.

(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid Safety Profile

Hazard Codes: Irritant Xi

Product Name

(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid

Synthetic route

(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid Chemical Properties

(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid Uses

(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid Safety Profile

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