1-Adamantaneacetic acid supplier

Name
1-Adamantaneacetic acid
EINECS 225-585-1
CAS No. 4942-47-6
Article Data37
CAS DataBase
Density 1.167 g/cm³
Solubility
Melting Point 134-137 °C(lit.)
Formula C₁₂H₁₈O₂
Boiling Point 319.2 °C at 760 mmHg
Molecular Weight 194.274
Flash Point 163 °C
Transport Information
Appearance white to off-white crystalline powder or crystals
Safety 22-24/25-43-7/8
Risk Codes 36/37/38-15-10
Molecular Structure
Hazard Symbols Xi, Xn, F
Synonyms Tricyclo[3.3.1.13,7]decane-1-aceticacid;(Adamantan-1-yl)acetic acid;1-(Carboxymethyl)adamantane;NSC 310162;a-(1-Adamantyl)acetic acid;
PSA 37.30000
LogP 2.67750

Synthetic route

: 104543-11-5
2-(1-adamantyl)-1-nitro-1-(pyridine-thiyl)ethane

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; potassium carbonate In tetrahydrofuran; methanol at 40℃; for 15h;	95%

: 768-90-1
1-Adamantyl bromide

: 75-35-4
1,1-Dichloroethylene

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 0 - 2℃; for 2.5h;	93%
(i) H2SO4, BF3, (ii) aq. H2SO4; Multistep reaction;
With sulfuric acid; boron trifluoride

: Phosphoric acid 2-adamantan-1-yl-1-benzenesulfonyl-1-(pyridin-2-ylsulfanyl)-ethyl ester dimethyl ester

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium hydroxide	93%
With potassium hydroxide In methanol Yield given;

: 27174-71-6
methyl 2-(adamantan-1-yl)acetate

: 144-55-8
sodium hydrogencarbonate

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In methanol	93%

: 144499-21-8
Trifluoro-acetic acid 2-adamantan-1-yl-1-cyano-1-(pyridin-2-ylsulfanyl)-ethyl ester

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium carbonate In water for 2h;	91%
With potassium carbonate In acetone at 25℃; for 12h; Yield given;

: Acetic acid 1-cyano-2-(octahydro-2,5-methano-inden-3a-yl)-1-(pyridin-2-ylsulfanyl)-ethyl ester

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium carbonate In water	87%

: 15782-66-8
ethyl 4-(adamant-1-yl)-phenyl acetate

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With water; sodium hydroxide In methanol at 20℃; for 1h;	86%

: 144499-22-9
Phosphoric acid 2-adamantan-1-yl-1-cyano-1-(pyridin-2-ylsulfanyl)-ethyl ester dimethyl ester

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium hydroxide	85%

: 75-35-4
1,1-Dichloroethylene

: 32314-61-7
1-nitroxyadamantane

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With sulfuric acid at 5 - 15℃; for 1h;	80.6%

: (3r,5r,7r)-1-(2,2-dibromovinyl)adamantane

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
Stage #1: (3r,5r,7r)-1-(2,2-dibromovinyl)adamantane With n-butyllithium In tetrahydrofuran at 0℃; for 1.5h; Stage #2: With 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran for 2h;	77%

: 925681-80-7
adamantylacetic acid acid 2-oxo-1,2,2-triphenylethyl ester

A: 201-68-3
13-oxa-indeno[1,2-l]phenanthrene

B: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With air In ethanol; acetonitrile Irradiation;	A n/a B 74%

: 27174-71-6
methyl 2-(adamantan-1-yl)acetate

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With bis(tri-n-butyltin)oxide In toluene for 72h; Heating;	25%

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

: 2094-72-6
1-Adamantanecarbonyl chloride

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With diethyl ether Erwaermen des Reaktionsprodukts mit Ag2O, Na2CO3 und Na2S2O3 in wss. Dioxan;

: 75-35-4
1,1-Dichloroethylene

: 281-23-2
adamantane

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With sulfuric acid; boron trifluoride diethyl etherate; tert-butyl alcohol

: 75-35-4
1,1-Dichloroethylene

: 768-95-6
1-adamanthanol

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
(i) BF3, H2SO4, (ii) aq. H2SO4; Multistep reaction;
With sulfuric acid; boron trifluoride

: 16269-13-9
1-Carboxymethyladamantane nitrile

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethylene glycol at 150℃;

: 18220-83-2
adamantan-1-ylacetaldehyde

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium permanganate In acetone

: 75-35-4
1,1-Dichloroethylene

: 281-23-2
adamantane

A: 17768-28-4
1,3-adamantane diacetic acid

B: 17768-36-4
2-(3-hydroxyadamantan-1-yl)acetic acid

C: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In hexane at 25℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With sulfuric acid; nitric acid In hexane at 25℃; Yield given. Yields of byproduct given;
With sulfuric acid; nitric acid In hexane at 25℃; for 4.5h; Product distribution; Mechanism; var. reagent partners concentrations, temp., and solvents; also 1,3-dimethyladamantane;

...Expand

: 3061-65-2
2-acetoxyacrylonitrile

: 828-51-3
1-Adamantanecarboxylic acid

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With 1-hydroxy-2(1H)-pyridinethione; potassium carbonate; dicyclohexyl-carbodiimide multistep reaction, other acids, other olefins (homologation of carboxylic acids);

: 135967-17-8
2-(2-Adamantan-1-yl-1-benzenesulfonyl-1-trimethylsilanyl-ethanesulfinyl)-pyridine

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium carbonate; trifluoroacetic acid 2) MeCN, H2O; Multistep reaction;

: 163976-43-0
3-Adamantan-1-yl-2-(pyridine-2-sulfinyl)-propionitrile

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium carbonate; trifluoroacetic anhydride 2) EtOH; Multistep reaction;
With potassium carbonate; trifluoroacetic anhydride 2.) acetonitrile; Yield given. Multistep reaction;

: 144499-23-0
Acetic acid 2-adamantan-1-yl-1-cyano-1-(pyridin-2-ylsulfanyl)-ethyl ester

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium carbonate In acetone at 25℃; for 12h; Yield given;

: 14651-42-4
1-(bromomethyl)adamantane

: 124-38-9
carbon dioxide

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
(i) Mg, (ii) /BRN= 1900390/; Multistep reaction;

: Methanesulfonic acid 2-adamantan-1-yl-1-cyano-1-(pyridin-2-ylsulfanyl)-ethyl ester

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium carbonate In water

: 2-(2-Adamantan-1-yl-1-benzenesulfonyl-ethanesulfinyl)-pyridine

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With potassium carbonate; trifluoroacetic anhydride 1.) CH2Cl2, 2 h, room temp.; 2.) H2O, acetone, overnight at room temp.; Yield given. Multistep reaction;

: methyl [2-(1-adamantylacetyl)-3-(1-adamantylmethylcarbonyloxy)-3-methoxy]-2-propenoate

A: 19835-39-3
1-(1-adamantyl)propan-2-one

B: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
With sulfuric acid; water

: 19835-38-2
1-adamantylacetyl chloride

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 81 percent / NaOH / toluene / 1 h / 20 °C 2: H2SO4; water View Scheme

: 828-51-3
1-Adamantanecarboxylic acid

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: DCC / CH2Cl2 2: 33 percent Spectr. / CH2Cl2 / 0 - 5 °C / Irradiation 3: aq.K2CO3 / acetone / 12 h / 25 °C View Scheme
Multi-step reaction with 3 steps 1: DCC / CH2Cl2 2: 79 percent Spectr. / CH2Cl2 / 0 - 5 °C / Irradiation 3: aq.K2CO3 / acetone / 12 h / 25 °C View Scheme
Multi-step reaction with 4 steps 1: DCC / CH2Cl2 2: 87 percent Spectr. / CH2Cl2 / 0 - 5 °C / Irradiation 3: MCPBA 4: 1) (CF3CO)2O, 2) aq.K2CO3 / 2) EtOH View Scheme

: 91233-19-1
1-(adamantane-1-carbonyloxy)pyridine-2(1H)-thione

: 4942-47-6
(adamant-1-yl)-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 33 percent Spectr. / CH2Cl2 / 0 - 5 °C / Irradiation 2: aq.K2CO3 / acetone / 12 h / 25 °C View Scheme
Multi-step reaction with 2 steps 1: 79 percent Spectr. / CH2Cl2 / 0 - 5 °C / Irradiation 2: aq.K2CO3 / acetone / 12 h / 25 °C View Scheme
Multi-step reaction with 3 steps 1: 87 percent Spectr. / CH2Cl2 / 0 - 5 °C / Irradiation 2: MCPBA 3: 1) (CF3CO)2O, 2) aq.K2CO3 / 2) EtOH View Scheme
Multi-step reaction with 3 steps 1: 75 percent Spectr. / CH2Cl2 / 0 - 5 °C 2: m-chloroperbenzoic acid 3: 1) CF3CO2H 2) K2CO3 / 2) MeCN, H2O View Scheme
Multi-step reaction with 2 steps 1: 61 percent Spectr. / CH2Cl2 / 0 - 5 °C 2: 1M KOH / methanol View Scheme

: 67-56-1
methanol

: 4942-47-6
(adamant-1-yl)-acetic acid

: 27174-71-6
methyl 2-(adamantan-1-yl)acetate

Conditions

Conditions	Yield
With hydrogenchloride for 1h; Heating;	100%
With sulfuric acid Heating;	80%
With toluene-4-sulfonic acid
With sulfuric acid for 10h; Reflux;

: 81250-34-2
1,3-dipropyl-5,6-diaminouracil

: 4942-47-6
(adamant-1-yl)-acetic acid

: 136199-23-0
6-amino-1,3-dipropyl-5-<<(1-adamantyl)acetyl>amino>uracil

Conditions

Conditions	Yield
With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,4-dioxane for 2h; Ambient temperature;	100%

: 16652-71-4
benzyl (2S)-2-pyrrolidinecarboxylate hydrochloride

: 4942-47-6
(adamant-1-yl)-acetic acid

: 87113-91-5
(S)-1-(2-adamantan-1-yl-acetyl)-pyrrolidine-2-carboxylic acid benzyl ester

Conditions

Conditions	Yield
With N-Ethylmaleimide; benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran	100%

: 4942-47-6
(adamant-1-yl)-acetic acid

: 6240-11-5
2-(adamant-1-yl)ethanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 18h;	100%
With borane-THF In tetrahydrofuran at 5 - 10℃;	97%
Stage #1: (adamant-1-yl)-acetic acid With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere; Stage #2: With Glauber's salt In tetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere;	97%

: 4942-47-6
(adamant-1-yl)-acetic acid

: 19835-38-2
1-adamantylacetyl chloride

Conditions

Conditions	Yield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 18h;	100%
With thionyl chloride; N,N-dimethyl-formamide In ethyl acetate at 20℃; for 3h;	99%
With thionyl chloride for 5h; Inert atmosphere; Reflux;	99%

: 1926-80-3
methyl 6-aminocaproate hydrochloride

: 4942-47-6
(adamant-1-yl)-acetic acid

: 273201-95-9
Ada-Ahx-OMe

Conditions

Conditions	Yield
With 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V); N-ethyl-N,N-diisopropylamine In dichloromethane for 3h; Inert atmosphere;	100%

: C32H41N7O2

: 4942-47-6
(adamant-1-yl)-acetic acid

: 76-05-1
trifluoroacetic acid

: 6-(6-(4-(2-(2-(adamantan-1-yl)acetamido)ethyl)piperazin-1-yl)pyridin-3-yl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-1H-indole-4-carboxamide 2,2,2-trifluoroacetate

Conditions

Conditions	Yield
Stage #1: C32H41N7O2; (adamant-1-yl)-acetic acid With 4-methyl-morpholine; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dimethylsulfoxide-d6 at 20℃; Stage #2: trifluoroacetic acid In methanol; water	100%

...Expand

: C67H100O16Si2

: 4942-47-6
(adamant-1-yl)-acetic acid

: C79H116O17Si2

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 20h; Inert atmosphere;	100%

: 823197-35-9
1-[5-(benzyloxy)pyridin-2-yl]piperazine

: 4942-47-6
(adamant-1-yl)-acetic acid

: C28H35N3O2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 3.5h;	100%

: 4942-47-6
(adamant-1-yl)-acetic acid

: 929-06-6
2-(2-Aminoethoxy)ethanol

: C16H27NO3

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1,2-dichloro-ethane; N-ethyl-N,N-diisopropylamine In dichloromethane	99%

: 7517-19-3
methyl (L)-leucinate hydrochloride

: 4942-47-6
(adamant-1-yl)-acetic acid

: 1040215-19-7
N-(1-adamantylacetyl)-L-leucine methyl ester

Conditions

Conditions	Yield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃;	98%

: 933-52-8
2,2,4,4-tetramethyl-1,3-cyclobutanedione

: 119072-55-8, 7188-38-7
tert-butylisonitrile

: 4942-47-6
(adamant-1-yl)-acetic acid

: 1141681-57-3
adamantan-1-ylacetic acid 1-tert-butylcarbamoyl-2,2,4,4-tetramethyl-3-oxocyclobutyl ester

Conditions

Conditions	Yield
In water at 20℃; for 72h; Passerini reaction;	98%

...Expand

: 131326-39-1
2-[2-[[(1,1-dimethylethyl)-dimethylsilyl]oxy]ethoxy]ethanol

: 4942-47-6
(adamant-1-yl)-acetic acid

: C22H40O4Si

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane	98%

: C27H37N5O3

: 4942-47-6
(adamant-1-yl)-acetic acid

: 76-05-1
trifluoroacetic acid

: 1-((S)-1-(1-(2-(2-(adamantan-1-yl)acetamido)ethyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide 2,2,2-trifluoroacetate

Conditions

Conditions	Yield
Stage #1: C27H37N5O3; (adamant-1-yl)-acetic acid With 4-methyl-morpholine; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dimethylsulfoxide-d6 at 20℃; Stage #2: trifluoroacetic acid In methanol; water	98%

...Expand

: 40615-39-2
5'-O-(4-4'-dimethoxytrityl)thymidine

: 4942-47-6
(adamant-1-yl)-acetic acid

: 3'-O-adamantaneacetyl-5'-O-(4-4'-dimethoxytrityl)thymidine

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane Molecular sieve;	97%

: 139115-91-6
2-(2-tert-butyloxycarbonylaminoethoxy)ethanol

: 4942-47-6
(adamant-1-yl)-acetic acid

: 2-(2-((tert-butoxycarbonyl)amino)ethoxy)ethyl 2-(adamantan-1-yl)acetate

Conditions

Conditions	Yield
Stage #1: 2-(2-tert-butyloxycarbonylaminoethoxy)ethanol; (adamant-1-yl)-acetic acid With dmap In dichloromethane at 20℃; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃;	97%
With dmap In dichloromethane at 0 - 20℃; Inert atmosphere;	97%
In dichloromethane at 0 - 20℃;	97%
With benzotriazol-1-ol; 1,2-dichloro-ethane In dichloromethane

: 97315-19-0
3-<(tert-butyldimethylsilyl)oxy>-4-methoxybenzyl alkohol

: 4942-47-6
(adamant-1-yl)-acetic acid

: 3-[tert-butyl(dimethyl)silyloxy]-4-methoxybenzyl adamantan-1-ylacetate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 24h;	96%

: 75-35-4
1,1-Dichloroethylene

: 4942-47-6
(adamant-1-yl)-acetic acid

: 17768-28-4
1,3-adamantane diacetic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid for 5h; Ambient temperature;	95%

: 4942-47-6
(adamant-1-yl)-acetic acid

: 17768-34-2
(3-bromo-1-adamantyl)acetic acid

Conditions

Conditions	Yield
With water; bromine for 1.5h; Heating;	94%
With bromine
With sulfuric acid; hydrogen bromide
With bromine In tetrachloromethane
With t-butyl bromide; sulfuric acid In tetrachloromethane at 10 - 20℃; for 2h;

: 4942-47-6
(adamant-1-yl)-acetic acid

: 75-05-8
acetonitrile

: ((1R,3R,7R)-3-Acetylamino-adamantan-1-yl)-acetic acid

Conditions

Conditions	Yield
With water; bromine 1.) reflux, 15 min, 2.) room temp., overnight;	94%

: 4942-47-6
(adamant-1-yl)-acetic acid

: C12H18OS

Conditions

Conditions	Yield
Stage #1: (adamant-1-yl)-acetic acid 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 1h; Stage #2: With sodium hydrogen sulfide In N,N-dimethyl-formamide at 20℃;	94%

: 1-bromo-6-fluorotetradec-7-yne

: 4942-47-6
(adamant-1-yl)-acetic acid

: 6-fluorotetradec-7-yn-1-yl 2-((1s,3s)-adamantan-1-yl)acetate

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 75℃; for 12h; Inert atmosphere;	94%

: 4-((4-aminomethyl)phenoxy)phthalonitrile

: 4942-47-6
(adamant-1-yl)-acetic acid

: 2-(adamantan-1-yl)-N-(4-(3,4-dicyanophenoxy)benzyl)acetamide

Conditions

Conditions	Yield
Stage #1: (adamant-1-yl)-acetic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 1h; Stage #2: 4-(4-(aminomethyl)phenoxy)phthalonitrile In dichloromethane for 10h;	93.8%

: 64-17-5
ethanol

: 4942-47-6
(adamant-1-yl)-acetic acid

: 15782-66-8
ethyl 4-(adamant-1-yl)-phenyl acetate

Conditions

Conditions	Yield
With sulfuric acid for 5h; Reflux;	93%

: 4942-47-6
(adamant-1-yl)-acetic acid

: 1673-47-8
3-chlorobenzhydrazide

: 1417863-11-6
2-(1-adamantylmethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole

Conditions

Conditions	Yield
Stage #1: (adamant-1-yl)-acetic acid; 3-chlorobenzhydrazide With trichlorophosphate for 4h; Reflux; Stage #2: With potassium carbonate; potassium hydroxide In water pH=8; Cooling with ice;	93%

: 109-73-9
N-butylamine

: 4942-47-6
(adamant-1-yl)-acetic acid

: 122020-51-3
2-(adamantan-1-yl)-N-butylacetamide

Conditions

Conditions	Yield
With triethylamine; 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℃;	92%
With boron trifluoride diethyl etherate; triethylamine In toluene Heating;	77%

1-Adamantaneacetic acid Chemical Properties

Molecule structure of 1-Adamantaneacetic acid (CAS NO.4942-47-6):

IUPAC Name: 2-(1-Adamantyl)acetic acid
Molecular Weight: 194.27012 g/mol
Molecular Formula: C₁₂H₁₈O₂
Density: 1.167 g/cm³
Melting Point: 134-137 °C(lit.)
Boiling Point: 319.2 °C at 760 mmHg
Flash Point: 163 °C
Index of Refraction: 1.55
Molar Refractivity: 53.01 cm³
Molar Volume: 166.4 cm³
Surface Tension: 52 dyne/cm
Enthalpy of Vaporization: 61.65 kJ/mol
Vapour Pressure: 7.23E-05 mmHg at 25 °C
XLogP3-AA: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 194.13068
MonoIsotopic Mass: 194.13068
Topological Polar Surface Area: 37.3
Heavy Atom Count: 14
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)O
InChI: InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)
InChIKey: AOTQGWFNFTVXNQ-UHFFFAOYSA-N
EINECS: 225-585-1
Product Categories: cyclic compounds; Adamantane derivatives; Adamantanes

1-Adamantaneacetic acid Safety Profile

Hazard Codes: Irritant Xi, Harmful Xn, F
Risk Statements: 36/37/38-15-10
R36/37/38:Irritating to eyes, respiratory system and skin.
R15:Contact with water liberates extremely flammable gases.
R10:Flammable.
Safety Statements: 22-24/25-43-7/8
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S43:In case of fire use ... (there follows the type of fire-fighting equipment to be used.)
S7:Keep container tightly closed.
S8:Keep container dry.
WGK Germany: 3
HazardClass: IRRITANT

1-Adamantaneacetic acid Specification

1-Adamantaneacetic acid (CAS NO.4942-47-6) is also named as Adamantan-1-ylacetic acid ; tricyclo[3.3.1.1~3,7~]decane-1-acetic acid ; 2-(1-adamantyl)acetic acid ; Tricyclo(3.3.1.13,7)dec-1-ylacetic acid ; Tricyclo[3.3.1.1(3,7)-]decane-1-acetic acid . 1-Adamantaneacetic acid (CAS NO.4942-47-6) is white to off-white crystalline powder or crystals.

Product Name

1-Adamantaneacetic acid

Synthetic route

1-Adamantaneacetic acid Chemical Properties

1-Adamantaneacetic acid Safety Profile

1-Adamantaneacetic acid Specification

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