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

Name
5,6,7,8-Tetrahydronaphthalene-1-carboxylic acid
EINECS
CAS No. 4242-18-6
Article Data29
CAS DataBase
Density 1.184 g/cm³
Solubility
Melting Point 148-152oC
Formula C₁₁H₁₂O₂
Boiling Point 336.8 °C at 760 mmHg
Molecular Weight 176.215
Flash Point 154.2 °C
Transport Information
Appearance White crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
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;
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

Conditions	Yield
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

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%

: 75934-22-4
8-(2-Oxazolinyl)tetralin

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With sodium hydroxide; nickel

: 7647-01-0
hydrogenchloride

: 29809-13-0
5,6,7,8-tetrahydronaphthalene-1-carbonitrile

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
at 120℃; im Rohr;

5.6.7.8-tetrahydro-naphthoic acid-(1)-ethyl ester: 5.6.7.8-tetrahydro-naphthoic acid-(1)-ethyl ester

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide

5.6.7.8-tetrahydro-naphthonitrile-(1): 5.6.7.8-tetrahydro-naphthonitrile-(1)

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide at 140 - 145℃;
With hydrogenchloride at 140℃;

diazotized 6-amino-tetralin-carboxylic acid-(5): diazotized 6-amino-tetralin-carboxylic acid-(5)

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
With ethanol; copper

: 41828-13-1
5,6,7,8-tetrahydro-naphthalene-1-carbaldehyde

permanganate: permanganate

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 86-55-5
1-naphthalenecarboxylic acid

: 64-19-7
acetic acid

platinum: platinum

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Hydrogenation;

...Expand

: 623-11-0
1-methyl-4-nitrosobenzene

: 86-55-5
1-naphthalenecarboxylic acid

nickel-aluminium-alloy: nickel-aluminium-alloy

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

B: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

...Expand

: 86-55-5
1-naphthalenecarboxylic acid

: 64-19-7
acetic acid

platinum oxide: platinum oxide

A: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

B tetrahydronaphthoic acid: tetrahydronaphthoic acid

Conditions

Conditions	Yield
Hydrogenation;

...Expand

: 529-33-9
1,2,3,4-Tetrahydro-1-naphthol

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) nBuLi, TMEDA / 1) pentane, reflux, 2) pentane 2: hydrogen / Pd/C / acetic acid View Scheme

: 63667-83-4
1-(but-3-en-1-yl)-2-methoxybenzene

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: n-butyllithium; N,N,N,N,-tetramethylethylenediamine / 1) in dry ether at reflux for 1h 2) CO2 as a continous stream for 1h 2: thionyl chloride 3: sodium hydroxide; boron trifluoride-tetrahydrofuran complex; dihydrogen peroxide / 1) for 1h 2) at 50 deg C for 1h 4: triethylamine / dichloromethane / -22 °C 5: lithium bromide / N,N-dimethyl-formamide 6: magnesium / tetrahydrofuran 7: hydrogenchloride / water / 18 h / Heating View Scheme

Yield

Multi-step reaction with 7 steps
1: n-butyllithium; N,N,N,N,-tetramethylethylenediamine / 1) in dry ether at reflux for 1h 2) CO2 as a continous stream for 1h
2: thionyl chloride
3: sodium hydroxide; boron trifluoride-tetrahydrofuran complex; dihydrogen peroxide / 1) for 1h 2) at 50 deg C for 1h
4: triethylamine / dichloromethane / -22 °C
5: lithium bromide / N,N-dimethyl-formamide
6: magnesium / tetrahydrofuran
7: hydrogenchloride / water / 18 h / Heating
View Scheme

: 75934-24-6
(4-iodobutyl)anisole

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: potassium tert-butylate / tert-butyl alcohol / 24 h / 90 °C 2: n-butyllithium; N,N,N,N,-tetramethylethylenediamine / 1) in dry ether at reflux for 1h 2) CO2 as a continous stream for 1h 3: thionyl chloride 4: sodium hydroxide; boron trifluoride-tetrahydrofuran complex; dihydrogen peroxide / 1) for 1h 2) at 50 deg C for 1h 5: triethylamine / dichloromethane / -22 °C 6: lithium bromide / N,N-dimethyl-formamide 7: magnesium / tetrahydrofuran 8: hydrogenchloride / water / 18 h / Heating View Scheme

Yield

Multi-step reaction with 8 steps
1: potassium tert-butylate / tert-butyl alcohol / 24 h / 90 °C
2: n-butyllithium; N,N,N,N,-tetramethylethylenediamine / 1) in dry ether at reflux for 1h 2) CO2 as a continous stream for 1h
3: thionyl chloride
4: sodium hydroxide; boron trifluoride-tetrahydrofuran complex; dihydrogen peroxide / 1) for 1h 2) at 50 deg C for 1h
5: triethylamine / dichloromethane / -22 °C
6: lithium bromide / N,N-dimethyl-formamide
7: magnesium / tetrahydrofuran
8: hydrogenchloride / water / 18 h / Heating
View Scheme

: 75934-25-7
3-(3-Butenyl)anisic Acid

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: thionyl chloride 2: sodium hydroxide; boron trifluoride-tetrahydrofuran complex; dihydrogen peroxide / 1) for 1h 2) at 50 deg C for 1h 3: triethylamine / dichloromethane / -22 °C 4: lithium bromide / N,N-dimethyl-formamide 5: magnesium / tetrahydrofuran 6: hydrogenchloride / water / 18 h / Heating View Scheme

: 75934-04-2
2-<2-Methoxy-3-(butenyl)phenyl>-4,4-dimethyl-2-oxazoline

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: sodium hydroxide; boron trifluoride-tetrahydrofuran complex; dihydrogen peroxide / 1) for 1h 2) at 50 deg C for 1h 2: triethylamine / dichloromethane / -22 °C 3: lithium bromide / N,N-dimethyl-formamide 4: magnesium / tetrahydrofuran 5: hydrogenchloride / water / 18 h / Heating View Scheme

: 75934-19-9
2-[3-(4-Bromo-butyl)-2-methoxy-phenyl]-4,4-dimethyl-4,5-dihydro-oxazole

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: magnesium / tetrahydrofuran 2: hydrogenchloride / water / 18 h / Heating View Scheme

: 75934-17-7
4-[3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-2-methoxy-phenyl]-butan-1-ol

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: triethylamine / dichloromethane / -22 °C 2: lithium bromide / N,N-dimethyl-formamide 3: magnesium / tetrahydrofuran 4: hydrogenchloride / water / 18 h / Heating View Scheme

: 75948-76-4
2-[3-(4-Methanesulfonyl-butyl)-2-methoxy-phenyl]-4,4-dimethyl-4,5-dihydro-oxazole

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 94 percent / LiBr / dimethylformamide 2: 84 percent / Mg / tetrahydrofuran 3: 72 percent / 4.5M HCl / H2O / 18 h / Heating View Scheme

: 100-66-3
methoxybenzene

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 9 steps 1: n-butyllithium; N,N,N,N,-tetramethylethylenediamine / 1) in dry ether at reflux for 1h 2) -22 deg C overnight 2: potassium tert-butylate / tert-butyl alcohol / 24 h / 90 °C 3: n-butyllithium; N,N,N,N,-tetramethylethylenediamine / 1) in dry ether at reflux for 1h 2) CO2 as a continous stream for 1h 4: thionyl chloride 5: sodium hydroxide; boron trifluoride-tetrahydrofuran complex; dihydrogen peroxide / 1) for 1h 2) at 50 deg C for 1h 6: triethylamine / dichloromethane / -22 °C 7: lithium bromide / N,N-dimethyl-formamide 8: magnesium / tetrahydrofuran 9: hydrogenchloride / water / 18 h / Heating View Scheme

Yield

Multi-step reaction with 9 steps
1: n-butyllithium; N,N,N,N,-tetramethylethylenediamine / 1) in dry ether at reflux for 1h 2) -22 deg C overnight
2: potassium tert-butylate / tert-butyl alcohol / 24 h / 90 °C
3: n-butyllithium; N,N,N,N,-tetramethylethylenediamine / 1) in dry ether at reflux for 1h 2) CO2 as a continous stream for 1h
4: thionyl chloride
5: sodium hydroxide; boron trifluoride-tetrahydrofuran complex; dihydrogen peroxide / 1) for 1h 2) at 50 deg C for 1h
6: triethylamine / dichloromethane / -22 °C
7: lithium bromide / N,N-dimethyl-formamide
8: magnesium / tetrahydrofuran
9: hydrogenchloride / water / 18 h / Heating
View Scheme

: 41790-30-1
(5,6,7,8-tetrahydronaphthalene-1-yl)methanol

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diluted Cr2O3-H2SO4 2: permanganate View Scheme
Multi-step reaction with 2 steps 1: Py*HClCrO3 2: (oxidation) View Scheme

: 94627-88-0
2,3,4-Trichlor-naphthoesaeure-1-chlorid

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOH / methanol / Heating 2: Raney-Ni, aq. NaOH View Scheme

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 41790-30-1
(5,6,7,8-tetrahydronaphthalene-1-yl)methanol

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran at 0 - 20℃; for 16h;	100%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 24.5h;	99%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 24.5h;	99%

: 18274-81-2
desmethyl anethole trithione

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 1258508-99-4
4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl 5,6,7,8-tetrahydronaphthalene-1-carboxylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;	97.8%
Stage #1: 5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid With dmap; dicyclohexyl-carbodiimide In dichloromethane for 0.5h; Stage #2: desmethyl anethole trithione In dichloromethane at 25℃;	96%

: 1092449-30-3
5-amino-1,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid ethyl ester

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 1092447-56-7
1,3-dimethyl-5-[(5,6,7,8-tetrahydro-naphthalene-1-carbonyl)-amino]-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃;	97%

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 141104-66-7
ethyl 2-amino-5,6-dimethylindan-2-carboxylate

: 1092447-57-8
5,6-dimethyl-2-[(5,6,7,8-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℃;	92%

: 67-56-1
methanol

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 66193-59-7
methyl 1,2,3,4-tetrahydro-5-naphthalenecarboxylate

Conditions

Conditions	Yield
With thionyl chloride at 0℃; Inert atmosphere; Reflux;	92%

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 105372-60-9
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid-5,5,8,8-d4

Conditions

Conditions	Yield
With acetic acid-d; deuterium; palladium on activated charcoal at 55℃; under 1292.9 Torr; for 24h;	88%

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: (S)-2-amino-3,3-dimethyl-N-((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)butanamide hydrochloride

: N-((S)-3,3-dimethyl-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxobutan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at -10 - 20℃;	81.3%

: (2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)amine hydrochloride

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: N-(2-((5-(trifluoromethyl)pyridin-2-yl)sulfonyl)ethyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

Conditions

Conditions	Yield
Stage #1: 5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.416667h; Stage #2: (2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)amine hydrochloride In dichloromethane at 20℃; for 48h;	80%

: 384-64-5
3,3,3-trifluoro-2-phenylpropene

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 4,4-difluoro-3-phenyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)but-3-en-1-one

Conditions

Conditions	Yield
With [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; sodium hydrogencarbonate; triphenylphosphine In N,N-dimethyl-formamide at 20℃; for 48h; Molecular sieve; Inert atmosphere; Sealed tube; Irradiation;	80%

: 5337-93-9
4'-methylpropiophenone

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: C21H20O3

Conditions

Conditions	Yield
With pyridine; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate; silver carbonate; silver(I) triflimide In toluene at 120℃; for 22h; Inert atmosphere;	80%

: 1092449-33-6
2-amino-5-trifluoromethyl-indan-2-carboxylic acid ethyl ester

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 1092447-60-3
2-[(5,6,7,8-tetrahydro-naphthalene-1-carbonyl)-amino]-5-trifluoromethyl-indan-2-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃;	78%

: 941-55-9
4-toluenesulfonyl azide

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 2-[(4-methylphenyl)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Conditions

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; lithium acetate; silver(I) triflimide In 1,2-dichloro-ethane at 50℃; for 24h;	76%

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 271-58-9
anthranil

: 107-06-2
1,2-dichloro-ethane

: C20H20ClNO3

Conditions

Conditions	Yield
With tris(acetonitrile)(η5-pentamethylcyclopentadienyl)rhodium(III) hexafluoroantimonate; potassium carbonate at 100℃; for 18h;	74%

...Expand

: 524-38-9
N-hydroxyphthalimide

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 1,3-dioxoisoindolin-2-yl 5,6,7,8-tetrahydronaphthalene-1-carboxylate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; Inert atmosphere;	72%

: 1092449-31-4
2-amino-5-methoxy-indan-2-carboxylic acid ethyl ester

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 1092447-58-9
5-methoxy-2-[(5,6,7,8-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℃;	70%

: 1092449-34-7
ethyl 2-amino-5-cyanoindan-2-carboxylate

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 1092447-73-8
5-cyano-2-[(5,6,7,8-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℃;	70%

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: (S)-3-aminoquinuclidine dihydrochloride

: 135729-78-1
N-<(S)-1-azabicyclo<2.2.2>oct-3-yl>-5,6,7,8-tetrahydronaphthalene-1-carboxamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 27h;	69%

: 847494-22-8
2-amino-N-{(1R)-3-methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}acetamide monohydrochloride

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: N-(2-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-2-oxoethyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

Conditions

Conditions	Yield
Stage #1: 5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h; Stage #2: 2-amino-N-{(1R)-3-methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}acetamide monohydrochloride With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at -10 - 20℃;	65.7%

Yield

Stage #1: 5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h;
Stage #2: 2-amino-N-{(1R)-3-methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}acetamide monohydrochloride With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at -10 - 20℃;

65.7%

: 50-00-0
formaldehyd

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 108-59-8
malonic acid dimethyl ester

: 19346-17-9
2,3,6,7,8,9-hexahydro-1H-cyclopentan[a]naphthalene-1-one

Conditions

Conditions	Yield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate at 150℃; for 18h; Inert atmosphere; Schlenk technique; regioselective reaction;	60%

...Expand

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 75-05-8
acetonitrile

: acetyl-6,7,8,8a-tetrahydrobenzo[cd]indol-2(1H)-one

Conditions

Conditions	Yield
With iron(III)-acetylacetonate; copper(II) nitrate; Selectfluor at 80℃; for 8h; Schlenk technique; Inert atmosphere;	59%

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: (S)-2-amino-3-methoxy-N-((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)propenamide hydrochloride

: N-((S)-3-methoxy-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxopropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

Conditions

Conditions	Yield
Stage #1: 5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h; Stage #2: (S)-2-amino-3-methoxy-N-((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)propenamide hydrochloride With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at -10 - 20℃;	52.9%

Yield

Stage #1: 5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h;
Stage #2: (S)-2-amino-3-methoxy-N-((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)propenamide hydrochloride With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at -10 - 20℃;

52.9%

: 1092447-26-1
2-amino-5-fluoroindane-2-carboxylic acid ethyl ester

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 1092447-61-4
5-fluoro-2-[(5,6,7,8-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℃;	40%

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: bis(2-fluorophenyl)-λ3-iodanyl trifluoromethanesulfonate

: 1,2,3,4-tetrahydro-5H-naphtho[1,2-c]chromen-5-one

Conditions

Conditions	Yield
With palladium diacetate; potassium carbonate In N,N-dimethyl-formamide at 110℃; for 24h; Schlenk technique;	39%

: 1034369-95-3
bis(2-fluorophenyl)iodonium trifluoromethanesulfonate

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 1,2,3,4-tetrahydro-5H-naphtho[1,2-c]chromen-5-one

Conditions

Conditions	Yield
With palladium diacetate; potassium carbonate In N,N-dimethyl-formamide at 110℃; for 24h;	39%

: 1092449-32-5
6-amino-3-methyl-6,7-dihydro-5H-[2]pyrindine-6-carboxylic acid ethyl ester

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: 1092447-59-0
3-methyl-6-[(5,6,7,8-tetrahydro-naphthalene-1-carbonyl)-amino]-6,7-dihydro-5H-[2]pyrin dine-6-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃;	19%

: 2-methyl-1-phenylpiperazine hydrochloride

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: (3-methyl-4-phenylpiperazin-1-yl)(5,6,7,8-tetrahydronaphthalene-1-yl)methanone

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 5h;	12%

: (cis)-2-amino-1,3-dimethyl-indan-2-carboxylic acid ethyl ester

: 4242-18-6
5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

: cis-1,3-dimethyl-2-[(5,6,7,8-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℃;	9%

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

Product Name

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

Synthetic route

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

Related Products

Hot Products