Name: (R)-2-PROPYLOCTANOIC ACID
SKU: 185517-21-9

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Basic Information

Molecular Structure:
CAS No.:	185517-21-9
Name:	(R)-2-PROPYLOCTANOIC ACID
Article Data:	19

Formula:	C₁₁H₂₂O₂
Molecular Weight:	186.294
Synonyms:	Acide arundique [INN-French];Acidum arundicum [INN-Latin];Arundic acid [INN];Acido ar?ndico [INN-Spanish];(2R)-2-Propyloctanoic acid;
Density:	0.908 g/cm³
Boiling Point:	289.3 °C at 760mmHg
Flash Point:	154.2 °C
PSA:	37.30000
LogP:	3.45770

Synthetic route

: 213914-70-6
(2S)-2-(2-propenyl)octanoic acid

: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
With hydrogen; platinum on activated charcoal In isopropyl alcohol under 7600 Torr; for 1.5h; Catalytic hydrogenation;	99%
With hydrogenchloride; sodium chloride; hydrogen; platinum In hexane; ethyl acetate; isopropyl alcohol
With hydrogen; palladium 10% on activated carbon In methanol; ethyl acetate at 20℃; for 1h;	n/a
With platinum on carbon; hydrogen In isopropyl alcohol at 30℃; under 3750.38 Torr; for 3.5h; Autoclave; Large scale;	1045 g

: 1333204-12-8
(R)-2-propyloctan-1-ol

: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
Stage #1: (R)-2-propyloctan-1-ol With sodium hypochlorite; sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In water; acetonitrile at 35℃; for 7h; pH=6.7; Inert atmosphere; aq. phosphate buffer; Stage #2: With sodium hydrogencarbonate; sodium sulfite In water; acetonitrile at 0℃; pH=8; Inert atmosphere; Stage #3: With hydrogenchloride In water pH=2; Inert atmosphere;	98%
With sodium hypochlorite solution; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium chlorite In aq. phosphate buffer; acetonitrile at 35℃; for 7h; Inert atmosphere;	98%
With sodium hypochlorite; sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In aq. phosphate buffer; acetonitrile at 35℃; for 7h; pH=6.7;	95%
With sodium hypochlorite; sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In aq. phosphate buffer; water; acetonitrile at 35℃; for 7h; pH=6.7;	95%

: (2R)-2-propyloctanoic acid dibenzylamine salt

: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
With potassium hydroxide In water at 20℃; for 0.166667h;	97.1%

: 185463-37-0
(2S)-2-(2-propynyl)octanoic acid

: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethyl acetate at 20℃; for 7305h;	97%
With hydrogen; platinum on activated charcoal In isopropyl alcohol under 3800 Torr; for 2.5h; Catalytic hydrogenation;	94.6%
With hydrogen; 5%-palladium/activated carbon In monoethylene glycol diethyl ether; water under 3800.26 Torr; for 5h;	89%
palladium In methanol; ethyl acetate
With hydrogenchloride; sodium chloride; hydrogen; palladium In 1,2-dimethoxyethane; hexane; ethyl acetate

: C11H18O2

: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In methanol under 3040.2 Torr; for 2h;	96%

: 1192553-22-2
(S)-2-[(E)-1-propenyl]-(Z)-oct-4-enoic acid

: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 3040.2 Torr; for 2h;	96%

: 1087312-90-0
(1R)-2-endo-[(2R)-propyloctanoyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

A: 464-49-3
(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

B: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile at 0℃; for 1h;	A n/a B 95%

: (2S,3R)-3-propylnonane-1,2-diol

: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
With 1‐methyl‐2‐azaadamantane‐N‐oxyl; sodium hypochlorite; sodium chlorite In aq. phosphate buffer; acetone at 20℃; for 3h; pH=6.8;	92%

: N-(2-hydroxyphenyl)-(2R)-N-[(1S)-1-phenylethyl]-2-propyloctanamide

: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
With ferric nitrate In 1,4-dioxane for 20h; Heating;	60%

: 213914-72-8
N-[(2S)-2-propyloctanoyl]-(1S)-(-)-10,2-camphorsultam

: 185517-21-9
(R)-(-)-arundic acid

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide; dihydrogen peroxide In 1,2-dimethoxyethane; water at -20℃; for 0.833333h;	59%
With tetra(n-butyl)ammonium hydroxide; dihydrogen peroxide In tetrahydrofuran at -20℃; for 0.833333h; Hydrolysis;	59.3%

Raw Materials

111-64-8

693-25-4

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Chemistry

Molecule structure of Arundic acid (CAS NO.185517-21-9):

IUPAC Name: (2R)-2-Propyloctanoic acid
Molecular Weight: 186.29118 g/mol
Molecular Formula: C₁₁H₂₂O₂
Density: 0.908 g/cm³
Boiling Point: 289.3 °C at 760 mmHg
Flash Point: 154.2 °C
Index of Refraction: 1.444
Molar Refractivity: 54.53 cm³
Molar Volume: 205.1 cm³
Surface Tension: 32.2 dyne/cm
Enthalpy of Vaporization: 58.16 kJ/mol
Vapour Pressure: 0.000557 mmHg at 25 °C
XLogP3: 3.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 8
Exact Mass: 186.16198
MonoIsotopic Mass: 186.16198
Topological Polar Surface Area: 37.3
Heavy Atom Count: 13
Canonical SMILES: CCCCCCC(CCC)C(=O)O
Isomeric SMILES: CCCCCC[C@@H](CCC)C(=O)O
InChI: InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKey: YCYMCMYLORLIJX-SNVBAGLBSA-N
Classification Code of Arundic acid (CAS NO.185517-21-9): Neuroprotective agent

Specification

Arundic acid (CAS NO.185517-21-9) is also named as (2R)-2-Propyloctanoic acid ; Acide arundique ; Acide arundique [INN-French] ; Acido arzndico ; Acido arúndico [INN-Spanish] ; Acidum arundicum ; Acidum arundicum [INN-Latin] ; Cereact ; Proglia ; UNII-F2628ZD0FO .