Product Name

  • Name

    Heptanoic acid

  • EINECS 203-838-7
  • CAS No. 111-14-8
  • Article Data479
  • CAS DataBase
  • Density 0.938 g/cm3
  • Solubility 0.24 g/100 mL (15 ºC) in water
  • Melting Point -10.5 ºC
  • Formula C7H14O2
  • Boiling Point 222.6 ºC at 760 mmHg
  • Molecular Weight 130.187
  • Flash Point 99.2 ºC
  • Transport Information UN 3265 8/PG 3
  • Appearance clear to light yellow liquid
  • Safety 26-28-36/37/39-45-28A
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 111-14-8 (Heptanoic acid)
  • Hazard Symbols CorrosiveC
  • Synonyms 1-Hexanecarboxylicacid;Enanthic acid;Enanthylic acid;Heptoic acid;Heptylic acid;Oenanthic acid;Oenanthylic acid;n-Heptanoic acid;n-Heptoic acid;n-Heptylicacid;
  • PSA 37.30000
  • LogP 2.04140

Synthetic route

n-heptan1ol
111-70-6

n-heptan1ol

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With oxygen; potassium carbonate In water at 50℃; for 24h; Green chemistry;100%
With 4-methoxy-TEMPO; sodium hypochlorite; Aliquat 336; potassium bromide In dichloromethane; water at 0℃; for 0.0833333h; pH = 8.6;96%
With dichloro(1,5-cyclooctadiene)ruthenium(II); C30H30N3P2(1+)*Cl(1-); potassium hydroxide In toluene at 120℃; for 24h; Time; Inert atmosphere; Schlenk technique;95%
oct-1-ene
111-66-0

oct-1-ene

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With dihydrogen peroxide; 6-molybdo-6-tungstophosphoric acid/Al/C In tert-butyl alcohol at 60℃; for 4h;100%
With [Me(n-Oct)3N]3{PO4[WO(O2)2]4}; dihydrogen peroxide In water; 1,2-dichloro-ethane at 95℃; for 5h; Catalytic behavior; Reagent/catalyst; Temperature; Concentration; Reflux; Green chemistry;97%
With jones reagent; osmium(VIII) oxide In water; acetone for 20h; Ambient temperature;85%
heptanal
111-71-7

heptanal

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry;99%
With water; oxygen at 100℃; for 24h;98%
With periodic acid; pyridinium chlorochromate In acetonitrile for 1.5h;97%
non-2-yne
19447-29-1

non-2-yne

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With ruthenium(IV) oxide; Oxone; sodium hydrogencarbonate In water; ethyl acetate; acetonitrile at 20℃; for 1h;99%
7-tetradecyne
35216-11-6

7-tetradecyne

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With ruthenium(IV) oxide; Oxone; sodium hydrogencarbonate In water; ethyl acetate; acetonitrile at 20℃; for 1h;99%
heptanenitrile
629-08-3

heptanenitrile

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
enzyme from Synechocystis sp. PCC 6803 In phosphate buffer at 30℃; for 12h; pH=7.2;99%
n-octyne
629-05-0

n-octyne

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With ruthenium(IV) oxide; Oxone; sodium hydrogencarbonate In water; ethyl acetate; acetonitrile at 20℃; for 1h;98%
With iodosylbenzene; tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane for 0.0833333h; Ambient temperature;81%
ruthenium(IV) oxide In tetrachloromethane at 15 - 20℃; electrolyse: aq. buffered NaCl (pH 4), platinum electrodes, 20 mA/cm2, electricity: 11.3 F/mol;76%
Se-methyl heptaneselenoate
67132-63-2

Se-methyl heptaneselenoate

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With water; calcium carbonate; mercury dichloride In acetonitrile for 1h; Ambient temperature;97%
β-Propiolactone
57-57-8

β-Propiolactone

butyl magnesium bromide
693-04-9

butyl magnesium bromide

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With copper(l) chloride In tetrahydrofuran at -10℃;95%
With copper(I) bromide at -5℃; for 1h; Mechanism; Product distribution; other solvents, Grignard reagents, catalyst and temperature;
hept-6-ynoic acid
30964-00-2

hept-6-ynoic acid

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With ethanol; lithium; nickel dichloride; 4,4'-di-tert-butylbiphenyl In tetrahydrofuran at 20℃; for 12h;95%
2-hexyl-1,3-dioxolane
1708-34-5

2-hexyl-1,3-dioxolane

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With aluminium trichloride; silver bromate In acetonitrile for 1h; Heating;94%
benzyl hept-6-ynoate
528598-90-5

benzyl hept-6-ynoate

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 2h;94%
2-nonene
6434-78-2

2-nonene

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With Oxone; osmium(VIII) oxide In N,N-dimethyl-formamide; tert-butyl alcohol at 20℃; for 3h;93%
With acetic acid
With tetrafluoroboric acid; iodomesitylene; 3-chloro-benzenecarboperoxoic acid In dichloromethane; water; acetonitrile at 50℃; for 10h; Inert atmosphere;75 %Spectr.
oxone

oxone

Os(VIII)

Os(VIII)

2-nonene
6434-78-2

2-nonene

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With hydrogenchloride; sodium sulfate; OsO4 In ethyl acetate; N,N-dimethyl-formamide; tert-butyl alcohol93%
n-butyl magnesium bromide
693-03-8

n-butyl magnesium bromide

β-Propiolactone
57-57-8

β-Propiolactone

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With copper(l) iodide In tetrahydrofuran at -30 - 0℃; for 0.0333333h; Product distribution; Mechanism; further reagents, solvents, temperatures, times, further β-propiolactones and Grignard reagents;92%
copper(l) chloride In tetrahydrofuran Product distribution; other solvents, catalysts;90%
copper(l) chloride at 0℃; for 0.25h;90%
With copper(l) iodide; dimethylsulfide 1) THF, -30 deg C, 30 min; 2) -30 deg C, 1 h, 0 deg C, 1 h; Yield given. Multistep reaction;
2-hexylidene-1,3-dithiane 1-oxide

2-hexylidene-1,3-dithiane 1-oxide

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With hydrogenchloride In water; acetonitrile at 55 - 65℃; for 6h;92%
6-ethyl-tetrahydro-2H-pyran-2-one
3301-90-4

6-ethyl-tetrahydro-2H-pyran-2-one

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With palladium on activated carbon; W(OTf)6; hydrogen In neat (no solvent) at 135℃; under 760.051 Torr; for 12h;92%
Heptanoic acid 2,4-dimethoxy-benzyl ester

Heptanoic acid 2,4-dimethoxy-benzyl ester

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane for 18h; Ambient temperature;90%
(E)-1-(Diethoxyphosphoryl)-N,N-dimethyl-1-hepten-1-amin
89264-80-2

(E)-1-(Diethoxyphosphoryl)-N,N-dimethyl-1-hepten-1-amin

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With hydrogen bromide at 100℃; for 0.166667h;90%
With water; hydrogen bromide at 100℃; for 0.166667h; Inert atmosphere;90%
4-propylbutanolide
105-21-5

4-propylbutanolide

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With palladium on activated carbon; W(OTf)6; hydrogen In neat (no solvent) at 135℃; under 760.051 Torr; for 12h;90%
caprylnitrile
124-12-9

caprylnitrile

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With potassium tert-butylate; oxygen; 18-crown-6 ether In tetrahydrofuran at 25℃; for 48h;89%
With potassium tert-butylate; oxygen; 18-crown-6 ether In tetrahydrofuran at 25℃; for 48h;89%
tetradec-7-ene
10374-74-0

tetradec-7-ene

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With potassium permanganate; iron(III) chloride In acetone at -78 - 20℃;89%
With tetrafluoroboric acid; iodomesitylene; 3-chloro-benzenecarboperoxoic acid In dichloromethane; water; acetonitrile at 50℃; for 13h; Inert atmosphere;82 %Spectr.
n-heptan1ol
111-70-6

n-heptan1ol

A

heptanal
111-71-7

heptanal

B

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium tungstate In tert-butyl alcohol at 90℃;A 11%
B 89%
With 1-methyl-3-(2-oxo-2-(2,2,6,6-tetramethyl-1-ylooxy-4-piperidoxyl)ethyl)imidazolium chloride; 1-(carboxymethyl)-3-methylimidazolium chloride; oxygen; sodium nitrite In water at 59.84℃; under 7500.75 Torr; for 12h; Inert atmosphere;A 76%
B 12%
With C30H24N2O7W; dihydrogen peroxide In water; acetonitrile for 17h; Reflux;A 72%
B 17%
carbon dioxide
124-38-9

carbon dioxide

n-hexylmagnesium bromide
3761-92-0

n-hexylmagnesium bromide

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
In tetrahydrofuran at 25℃; for 1.25h; Grignard Reaction; Inert atmosphere; Schlenk technique;89%
heptanal
111-71-7

heptanal

A

n-heptan1ol
111-70-6

n-heptan1ol

B

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With (CH3C6H4CH(CH3)2)RuCl((NH2)2C6H4)(1+)*Cl(1-)={(CH3C6H4CH(CH3)2)RuCl((NH2)2C6H4)}Cl; water In 1,4-dioxane at 105℃; for 20h; Schlenk technique; Inert atmosphere;A n/a
B 87%
bei der Einw.von Schweineleber-Brei;
With water; NADPH at 25℃; for 18h; pH=9; aq. buffer; Enzymatic reaction;
dimethyl 2-furfurylidenemalonate
74299-84-6

dimethyl 2-furfurylidenemalonate

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 180℃; under 22502.3 Torr; for 10h; Autoclave;85%
With palladium on activated charcoal; W(OTf)6; hydrogen; acetic acid at 180℃; under 22502.3 Torr; for 10h; Autoclave;85%
3-(2-furyl)acrylic acid
539-47-9

3-(2-furyl)acrylic acid

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With palladium on activated charcoal; W(OTf)6; hydrogen; acetic acid at 180℃; under 22502.3 Torr; for 10h; Autoclave;85%
n-heptanoic anhydride
626-27-7

n-heptanoic anhydride

A

n-heptan1ol
111-70-6

n-heptan1ol

B

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With methanol; sodium tetrahydroborate In tetrahydrofuran for 1h; Ambient temperature;A 84%
B 78%
With sodium tetrahydroborate; nickel dichloride In diethylene glycol dimethyl ether for 1h; Product distribution; Ambient temperature; other symmetric and mixed anhydrides of carboxylic acids and carboxylic carbonic anhydrides;A 78%
B 80%
cis-9-hexadecenoic acid
373-49-9

cis-9-hexadecenoic acid

A

azelaic acid
123-99-9

azelaic acid

B

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With ozone In water; acetonitrile at 0℃;A 84%
B 83%
heptanamide
628-62-6

heptanamide

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With niobium(V) oxide; water In neat (no solvent) for 20h; Reflux; Inert atmosphere;84%
oenanthic acid
111-14-8

oenanthic acid

2-butyl-1-(p-toluenesulfonyl)pyrrole
1310050-85-1

2-butyl-1-(p-toluenesulfonyl)pyrrole

1-[5-butyl-1-(p-toluenesulfonyl)pyrrol-2-yl]heptan-1-one
1310050-87-3

1-[5-butyl-1-(p-toluenesulfonyl)pyrrol-2-yl]heptan-1-one

Conditions
ConditionsYield
In dichloromethane; trifluoroacetic anhydride at 20℃;100%
furan
110-00-9

furan

boron trifluoridediethyl ether

boron trifluoridediethyl ether

oenanthic acid
111-14-8

oenanthic acid

dichloroacetic anhydride
4124-30-5

dichloroacetic anhydride

1-furan-2-yl-heptan-1-one
5466-40-0

1-furan-2-yl-heptan-1-one

Conditions
ConditionsYield
In toluene99.3%
methanol
67-56-1

methanol

oenanthic acid
111-14-8

oenanthic acid

methyl heptanoate
106-73-0

methyl heptanoate

Conditions
ConditionsYield
With monoammonium 12-tungstophosphate for 12h; Heating;99%
With hydrogenchloride at 85℃; for 2h;90%
With hydrogenchloride
oenanthic acid
111-14-8

oenanthic acid

Isosorbide
652-67-5

Isosorbide

isosorbide diisooctanate

isosorbide diisooctanate

Conditions
ConditionsYield
With manganese(II) acetate at 210℃; for 10h;99%
With toluene-4-sulfonic acid; xylene
With sodium carbonate at 232℃; for 5h; Inert atmosphere;
oenanthic acid
111-14-8

oenanthic acid

benzylamine
100-46-9

benzylamine

heptanoic acid benzylamide
55917-07-2

heptanoic acid benzylamide

Conditions
ConditionsYield
With (2-bromophenyl)boronic acid In dichloromethane at 25℃; for 48h; Molecular sieve;99%
With C36H24B4N2O3 In toluene at 20℃; for 8h; Reagent/catalyst; Molecular sieve;95%
With (2-(thiophen-2-ylmethyl)phenyl)boronic acid In dichloromethane at 20℃; for 24h; Inert atmosphere; Molecular sieve;94%
With indole-3-carboxaldehyde-polystyrene resin; sodium cyanoborohydride; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; trifluoroacetic acid; tetramethylammonium triacetoxyborohydride Yield given. Multistep reaction;
Stage #1: oenanthic acid With 4,6-dichloro-1,3,5-triazin-2-yl-NH-PEG-polystyrene
Stage #2: benzylamine Further stages.;
pyrrolidine
123-75-1

pyrrolidine

oenanthic acid
111-14-8

oenanthic acid

1-(pyrrolidin-1-yl)heptan-1-one
70974-42-4

1-(pyrrolidin-1-yl)heptan-1-one

Conditions
ConditionsYield
With (2-(thiophen-2-ylmethyl)phenyl)boronic acid In dichloromethane at 20℃; for 24h; Inert atmosphere; Molecular sieve;99%
With aluminum oxide In neat (no solvent) at 140℃; for 3h; Green chemistry;80%
1-butanethiol
109-79-5

1-butanethiol

oenanthic acid
111-14-8

oenanthic acid

S-butyl thioheptanoate
116074-61-4

S-butyl thioheptanoate

Conditions
ConditionsYield
With magnesium hydroxide; lithium hydroxide monohydrate; di-tert-butyl dicarbonate at 25℃; for 24h; Reagent/catalyst;99%
ethanol
64-17-5

ethanol

oenanthic acid
111-14-8

oenanthic acid

ethyl heptanoate
106-30-9

ethyl heptanoate

Conditions
ConditionsYield
With monoammonium 12-tungstophosphate for 12h; Heating;98%
With sulfuric acid at 0 - 20℃; Reflux; Inert atmosphere; Sealed tube;59%
With hydrogenchloride
With sulfuric acid
With toluene-4-sulfonic acid at 78℃; for 6h; Yield given;
oenanthic acid
111-14-8

oenanthic acid

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; silica gel; palladium at 330℃; Ni/Al2O3, 180 deg C;98%
With 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; diphenyldisulfane In 2,2,2-trifluoroethanol; ethyl acetate at 20℃; for 48h; Irradiation;40%
With barytes
Multi-step reaction with 3 steps
1: borane-d3-tetrahydrofuran / tetrahydrofuran
2: pyridinium dichlorochromate / dichloromethane
3: aldehyde deformylating oxygenase / glycerol / 0.08 h / pH 7.5
View Scheme
oenanthic acid
111-14-8

oenanthic acid

C25H33NO7
1384866-09-4

C25H33NO7

16-(4-methoxyphenyl)-3,10-dioxo-1-phenyl-2,11,15-trioxa-4-azahexadecan-13-yl heptanoate
1384866-10-7

16-(4-methoxyphenyl)-3,10-dioxo-1-phenyl-2,11,15-trioxa-4-azahexadecan-13-yl heptanoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;98%
oenanthic acid
111-14-8

oenanthic acid

4-chloro-aniline
106-47-8

4-chloro-aniline

heptanoic acid (4-chlorophenyl)-amide
96620-45-0

heptanoic acid (4-chlorophenyl)-amide

Conditions
ConditionsYield
With aluminum oxide In neat (no solvent) at 140℃; for 3h; Green chemistry;98%
oenanthic acid
111-14-8

oenanthic acid

(2S)-2-amino-N-benzyloxy-3-(4-phenylphenyl)propanamide 2,2,2-trifluoroacetate

(2S)-2-amino-N-benzyloxy-3-(4-phenylphenyl)propanamide 2,2,2-trifluoroacetate

N-[(1S)-2-(benzyloxyamino)-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]heptanamide

N-[(1S)-2-(benzyloxyamino)-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]heptanamide

Conditions
ConditionsYield
Stage #1: oenanthic acid With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane at 0 - 20℃; for 1h;
Stage #2: (2S)-2-amino-N-benzyloxy-3-(4-phenylphenyl)propanamide 2,2,2-trifluoroacetate With triethylamine In dichloromethane at 20℃;
98%
oenanthic acid
111-14-8

oenanthic acid

1-(4-aminophenyl)piperidine-2-one

1-(4-aminophenyl)piperidine-2-one

C18H26N2O2

C18H26N2O2

Conditions
ConditionsYield
With pyridine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 6h; Inert atmosphere;98%
Cyclohexanethiol
1569-69-3

Cyclohexanethiol

oenanthic acid
111-14-8

oenanthic acid

C13H24OS

C13H24OS

Conditions
ConditionsYield
With magnesium hydroxide; di-tert-butyl dicarbonate; sodium carbonate at 25℃; for 24h; Reagent/catalyst;98%
oenanthic acid
111-14-8

oenanthic acid

17β-hydroxy-3-methoxyandrosta-3,5-diene

17β-hydroxy-3-methoxyandrosta-3,5-diene

testosterone heptanoate
315-37-7

testosterone heptanoate

Conditions
ConditionsYield
Stage #1: oenanthic acid; 17β-hydroxy-3-methoxyandrosta-3,5-diene With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 40℃; Inert atmosphere;
Stage #2: With hydrogenchloride In water
97.18%
oenanthic acid
111-14-8

oenanthic acid

n-heptanoic anhydride
626-27-7

n-heptanoic anhydride

Conditions
ConditionsYield
With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine In dichloromethane at 20℃; for 0.5h;97%
With magnesium basic carbonate; di-tert-butyl dicarbonate at 25℃; for 12h; Reagent/catalyst;94%
With acetyl chloride
oenanthic acid
111-14-8

oenanthic acid

4-(4-aminophenyl)morpholin-3-one
438056-69-0

4-(4-aminophenyl)morpholin-3-one

C17H24N2O3

C17H24N2O3

Conditions
ConditionsYield
With pyridine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 6h; Inert atmosphere;97%
oenanthic acid
111-14-8

oenanthic acid

thiosemicarbazide
79-19-6

thiosemicarbazide

2-amino-5-n-hexyl-1,3,4-thiadiazole
52057-91-7

2-amino-5-n-hexyl-1,3,4-thiadiazole

Conditions
ConditionsYield
With SO42-/TiO2 at 20℃; for 0.133333h; Microwave irradiation;96.8%
With sulfuric acid61%
With sulfuric acid Heating;
With sulfuric acid at 80 - 90℃; for 7h;
oenanthic acid
111-14-8

oenanthic acid

17β-hydroxy-3-ethoxyandrosta-3,5-diene
26614-48-2

17β-hydroxy-3-ethoxyandrosta-3,5-diene

testosterone heptanoate
315-37-7

testosterone heptanoate

Conditions
ConditionsYield
Stage #1: oenanthic acid; 17β-hydroxy-3-ethoxyandrosta-3,5-diene With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,2-dichloro-ethane at 20℃; Inert atmosphere;
Stage #2: With sulfuric acid In water
96.3%
oenanthic acid
111-14-8

oenanthic acid

1-heptanol-1,1-d2
80094-80-0

1-heptanol-1,1-d2

Conditions
ConditionsYield
With lithium aluminium deuteride In diethyl ether for 48h; Heating;96%
With lithium aluminium deuteride In tetrahydrofuran for 2h; Heating;
oenanthic acid
111-14-8

oenanthic acid

Dipentaerythritol
126-58-9

Dipentaerythritol

dipentaerythritol hexaheptanoate
76939-66-7

dipentaerythritol hexaheptanoate

Conditions
ConditionsYield
With sulfuric acid; toluene-4-sulfonic acid at 135℃; for 0.183333h; Neat (no solvent); Microwave irradiation;96%
oenanthic acid
111-14-8

oenanthic acid

2-bromo-6-(4-pyridin-2-yl-piperazin-1-yl)-indeno[2,1-c]quinolin-7-one oxime
1173289-99-0

2-bromo-6-(4-pyridin-2-yl-piperazin-1-yl)-indeno[2,1-c]quinolin-7-one oxime

2-bromo-6-(4-(pyridin-2-yl)piperazin-1-yl)-7H-indeno[2,1-c]quinolin-7-one O-heptanoyl oxime
1293989-32-8

2-bromo-6-(4-(pyridin-2-yl)piperazin-1-yl)-7H-indeno[2,1-c]quinolin-7-one O-heptanoyl oxime

Conditions
ConditionsYield
Stage #1: 2-bromo-6-(4-pyridin-2-yl-piperazin-1-yl)-indeno[2,1-c]quinolin-7-one oxime With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 0.333333h; Inert atmosphere;
Stage #2: oenanthic acid In N,N-dimethyl-formamide at 20℃; for 4h; Inert atmosphere;
96%

Heptanoic acid Chemical Properties


IUPAC Name: Heptanoic acid
Molecular Formula: C7H14O2
Molecular Weight: 130.18 g/mol
SMILES: C(CC(O)=O)CCCC
InChI: InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
EINECS: 203-838-7
Product Categories: Pharmaceutical Intermediates; Alkylcarboxylic Acids; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes; Aliphatics; Carboxylic Acids 
Stability: Stable. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible. Protect from light.
Water Solubility: 0.24 g/100 mL (15 °C)
Index of Refraction: 1.432 
Molar Refractivity: 36.04 cm3 
Molar Volume: 138.7 cm3 
Polarizability: 14.28×10-24 cm3 
Surface Tension: 32.9 dyne/cm 
Density: 0.938 g/cm
Flash Point: 99.2 °C 
Enthalpy of Vaporization: 48.52 kJ/mol 
Boiling Point: 222.6 °C at 760 mmHg 
Melting Point: -10.5 °C
Vapour Pressure of Heptanoic acid (CAS NO.111-14-8): 0.0578 mmHg at 25 °C

Heptanoic acid Uses

 Heptanoic acid (CAS NO.111-14-8) is used in the preparation of esters, such as ethyl heptanoate, which are used in fragrances and as artificial flavors.

Heptanoic acid Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1200mg/kg (1200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.
mouse LD50 oral 6400mg/kg (6400mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
rat LD50 oral 7gm/kg (7000mg/kg)   Food & Drug Research Laboratories, Inc., Papers. Vol. 123, Pg. -, 1976.

Heptanoic acid Consensus Reports

Reported in EPA TSCA Inventory.

Heptanoic acid Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 34 
R34:Causes burns.
Safety Statements: 26-28-36/37/39-45-28A 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 3
WGK Germany: 1
RTECS: MJ1575000
HazardClass: 8
PackingGroup of Heptanoic acid (CAS NO.111-14-8): III

Heptanoic acid Specification

 Heptanoic acid (CAS NO.111-14-8), its Synonyms are 1-Hexanecarboxylic acid ; Enanthic acid ; Enanthylic acid ; Heptoic acid ; Heptylic acid ; Oenanthic acid ; Oenanthylic acid ; N-Heptanoic acid . It is colourless liquid with a pungent and rancid odour. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether.

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