3,5,5-trimethylhexanoic acid
isononanoyl chloride
Conditions | Yield |
---|---|
With phosphorus pentachloride | |
With thionyl chloride |
isononanol
isononanoyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: air; silver / 410 - 430 °C 2: air; magnesium acetate; glacial acetic acid / 25 °C 3: SOCl2 View Scheme | |
Multi-step reaction with 2 steps 1: chromium (VI)-oxide; acetic acid 2: phosphorus (V)-chloride View Scheme |
3,5,5-trimethyl hexanal
isononanoyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: air; magnesium acetate; glacial acetic acid / 25 °C 2: SOCl2 View Scheme | |
Multi-step reaction with 2 steps 1: O2 / Co(OAc)2 2: SOCl2 View Scheme |
4-nitro-phenol
isononanoyl chloride
4-Nitrophenyl 3,5,5-trimethylhexanoate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 1.5h; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 14h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With pyridine; tetrabutylammomium bromide In ethyl acetate at 50℃; for 0.5h; | 99.1% |
(S)-methyl 2-amino-4-(methylthio)butanoate hydrochloride
isononanoyl chloride
methyl (2S)-4-(methylthio)-2-(3,5,5-trimethylhexanamido)butanoate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 99% |
tert.-butylhydroperoxide
isononanoyl chloride
Conditions | Yield |
---|---|
With potassium hydroxide In water at 25℃; | 98.2% |
With potassium hydroxide In water at 25℃; Product distribution / selectivity; Industry scale; | 98.2% |
pentaerythritol triallyl ether
isononanoyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 5.33333h; Inert atmosphere; Cooling; | 98% |
Conditions | Yield |
---|---|
With triethylamine In toluene at 40 - 80℃; for 6.5h; | 97% |
Methyl 3,3-dimethylacrylate
isononanoyl chloride
Conditions | Yield |
---|---|
With aluminum (III) chloride; tin(IV) chloride at 40℃; for 5h; Time; Cooling with ice; Reflux; | 95.4% |
Stage #1: isononanoyl chloride With aluminum (III) chloride In dichloromethane at 30℃; for 0.666667h; Stage #2: Methyl 3,3-dimethylacrylate In dichloromethane at 38℃; for 1h; Temperature; | |
Stage #1: isononanoyl chloride With aluminum (III) chloride In dichloromethane for 5h; Stage #2: Methyl 3,3-dimethylacrylate In dichloromethane at 40℃; for 10h; Time; | |
Stage #1: isononanoyl chloride With anhydrous aluminum chloride, anhydrous lanthanum chloride, anhydrous lithium perchlorate on silica gel catalyst In dichloromethane at 0℃; for 1h; Stage #2: Methyl 3,3-dimethylacrylate In dichloromethane at 25 - 40℃; for 11h; Temperature; |
isononanoyl chloride
1-<(trimethylsilyl)methyl>benzotriazole
1-(1H-1,2,3-benzotriazol-1-yl)-4,6,6-trimethyl-2-heptanone
Conditions | Yield |
---|---|
In tetrahydrofuran for 24h; Heating; | 95% |
isononanoyl chloride
Nε-lauroyl-L-lysine
Nε-(1-oxododecyl)-Nα-(3,5,5-trimethyl-1-oxohexyl)-L-lysine
Conditions | Yield |
---|---|
With sodium hydroxide In diethyl ether at 0 - 20℃; for 24h; | 94% |
With sodium hydroxide In diethyl ether at 0 - 20℃; |
N-(2-hydroxyethyl)-2,2,6,6-tetramethyl-4piperidinol
isononanoyl chloride
5,5-trimethylhexanoic acid 2,2,6,6-tetramethyl-1-[2-(3,5,5-trimethyl-hexanoyloxy)-ethyl]-piperidin-4-yl ester
Conditions | Yield |
---|---|
In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 1h; Dean-Stark; Inert atmosphere; | 93% |
isononanoyl chloride
bis(3,5,5-trimethylhexanoyl) peroxide
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 26 - 32℃; | 92% |
With dihydrogen peroxide; potassium hydroxide In water at 5 - 40℃; for 0.0166667h; Temperature; Flow reactor; | 92.3% |
isononanoyl chloride
2',3'-O-Isopropylidene-N6,N6-dimethyladenosine
3,5,5-Trimethyl-hexanoic acid (2S,3R,4S)-5-(6-dimethylamino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester
Conditions | Yield |
---|---|
With trifluoroacetic acid In pyridine 1.) pyridine, 60 deg. C, 3h, 2.) CF3COOH, room temperatures, 2h; | 92% |
1,2,3-Benzotriazole
isononanoyl chloride
3,5,5-trimethylhexanoyl-1H-1,2,3-benzotriazole
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 4h; Heating; | 91% |
With triethylamine In dichloromethane for 4h; Acylation; Heating; |
Conditions | Yield |
---|---|
With sodium carbonate In tetrahydrofuran; N,N-dimethyl acetamide at 0 - 20℃; for 1h; Inert atmosphere; | 91% |
5-(benzyloxy)-3,4,6-trimethylpyridine-2-amine
isononanoyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 3h; | 85% |
With triethylamine In dichloromethane at 20℃; for 3h; | 85% |
With triethylamine In dichloromethane at 20℃; | 85% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; | 84% |
Conditions | Yield |
---|---|
With bis(2-methylphenyl)dicyclohexylphosphane; bis(1,5-cyclooctadiene)diiridium(I) dichloride In toluene at 90℃; for 20h; Inert atmosphere; stereoselective reaction; | 83% |
1,2-dimethoxybenzene
isononanoyl chloride
Conditions | Yield |
---|---|
With aluminum (III) chloride In dichloromethane Inert atmosphere; Reflux; | 82% |
isononanoyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 3h; | 81% |
methyl [(6-ethyl-4-piperazin-1-ylthieno[2,3-d]pyrimidin-2-yl)thio]acetate hydrochloride
isononanoyl chloride
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 20h; | 78% |
isononanoyl chloride
3,5,5-trimethylhexanamide
Conditions | Yield |
---|---|
With ammonia In water at 0 - 20℃; for 3.33333h; | 75% |
With ammonium hydroxide at 0 - 20℃; for 3h; | 75% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 18h; | 74% |
1-heptanoylpyrrolidine-2,4-dione
isononanoyl chloride
1-heptanoyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 3,5,5-trimethylhexanoate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 3h; | 71% |
2-amino-4,6-di-( pyridine-2-yl)-1,3,5-triazine
isononanoyl chloride
Conditions | Yield |
---|---|
With pyridine for 2h; Heating; | 70% |
isononanoyl chloride
2-amino-5-nitrobenzophenone
N-(2-benzoyl-4-nitrophenyl)-3,5,5-trimethylhexanoylamide
Conditions | Yield |
---|---|
In toluene for 2h; Heating; | 66% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 23 - 40℃; for 17h; | 57.2% |
3-(n-butyl)-5,5-dimethyl-4-phenyl-4,5-dihydropyrazole
isononanoyl chloride
[3-(n-butyl)-5,5-dimethyl-4-phenyl-4,5-dihydro-(1H)-pyrazol-1-yl]-3,5,5-trimethylhexan-1-one
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 30℃; for 21h; | 57% |
cycl-isopropylidene malonate
isononanoyl chloride
5-(1-hydroxy-3,5,5-trimethylhexylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Conditions | Yield |
---|---|
Stage #1: cycl-isopropylidene malonate With pyridine In dichloromethane at 0℃; for 0.25h; Stage #2: isononanoyl chloride In dichloromethane at 0 - 20℃; for 3h; | 51% |
IUPAC Name: 3,5,5-Trimethylhexanoyl chloride
Synonyms of Hexanoyl chloride,3,5,5-trimethyl- (CAS NO.36727-29-4): 3,5,5-Trimethylhexanoyl chloride ; EINECS 253-168-4 ; Isononanoic acid chloride ; Isononanoyl chloride
CAS NO: 36727-29-4
Molecular Formula of Hexanoyl chloride,3,5,5-trimethyl- (CAS NO.36727-29-4): C9H17ClO
Molecular Weight: 176.6837
Molecular Structure:
Melting Point: 145-148 °C
ProductCategories: ACID CHLORIDES
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.435
Molar Refractivity: 48.54 cm3
Molar Volume: 186 cm3
Surface Tension: 27.5 dyne/cm
Density of Hexanoyl chloride,3,5,5-trimethyl- (CAS NO.36727-29-4): 0.949 g/cm3
Flash Point: 58.2 °C
Enthalpy of Vaporization: 42.5 kJ/mol
Boiling Point: 188.8 °C at 760 mmHg
Vapour Pressure: 0.587 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LC50 | inhalation | 240ppm/4H (240ppm) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0539748, |
Hazard Codes: C
Risk Statements: 14-20-34
R14: Reacts violently with water.
R20: Harmful by inhalation.
R34: Causes burns.
Safety Statements: 26-27-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27: Take off immediately all contaminated clothing.
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: 3389
WGK Germany: 1
RTECS: MP4560000
HazardClass: 8
PackingGroup: III
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