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2,2-Dimethyloctanoic acid is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

29662-90-6

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29662-90-6 Usage

General Description

Colorless liquid with a burning, rancid odor. Floats on water.

Reactivity Profile

2,2,-DIMETHYL OCTANOIC ACID reacts exothermically with bases. May corrode or dissolve iron, steel, and aluminum parts and containers. May react with active metals to form gaseous hydrogen and a metal salt. Reacts with cyanide salts to generate gaseous hydrogen cyanide. Reacts with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides to generate flammable and/or toxic gases and heat. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts with carbonates and bicarbonates to generate a harmless gas (carbon dioxide) but some heat. Exothermically oxidized by strong oxidizing agents and reduced by strong reducing agents to give a range of products. May initiate polymerization reactions or catalyze other chemical reactions.

Health Hazard

Irritating to the eyes, nose, throat, upper respiratory tract, and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting.

Check Digit Verification of cas no

The CAS Registry Mumber 29662-90-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,9,6,6 and 2 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 29662-90:
(7*2)+(6*9)+(5*6)+(4*6)+(3*2)+(2*9)+(1*0)=146
146 % 10 = 6
So 29662-90-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H20O2/c1-4-5-6-7-8-10(2,3)9(11)12/h4-8H2,1-3H3,(H,11,12)

29662-90-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2-Dimethyloctanoic acid

1.2 Other means of identification

Product number -
Other names 2.2-Dimethyl-caprylsaeure

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:29662-90-6 SDS

29662-90-6Synthetic route

1-Iodohexane
638-45-9

1-Iodohexane

isobutyric Acid
79-31-2

isobutyric Acid

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
Stage #1: isobutyric Acid With hydrogenchloride; lithium diisopropyl amide In ethanol at 0℃; for 0.25h; Inert atmosphere;
Stage #2: 1-Iodohexane at 0 - 20℃; for 2h;
63.4%
Stage #1: isobutyric Acid With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; for 1h;
Stage #2: 1-Iodohexane In tetrahydrofuran at -78 - 20℃;
Stage #1: isobutyric Acid With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃;
Stage #2: 1-Iodohexane In tetrahydrofuran at -78 - 20℃;
2,2-dimethyloctanamide
103906-30-5

2,2-dimethyloctanamide

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With 1,4-dioxane; hydrogenchloride; n-Butyl nitrite
With sulfuric acid; sodium nitrite
With nitro, sulfate; sulfuric acid; water at 45 - 60℃;
non-1-ene
124-11-8

non-1-ene

carbon monoxide
201230-82-2

carbon monoxide

A

2-methyl-2-ethyl heptanoic acid
31080-38-3

2-methyl-2-ethyl heptanoic acid

B

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

C

2-methyl-2-propylhexanoic acid
31080-37-2

2-methyl-2-propylhexanoic acid

Conditions
ConditionsYield
(i) BF3*H2SO4, (ii) H2O; Multistep reaction;
1-hexene
592-41-6

1-hexene

isobutyric Acid
79-31-2

isobutyric Acid

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With di-tert-butyl peroxide
formic acid
64-18-6

formic acid

2-methyl-2-octanol
628-44-4

2-methyl-2-octanol

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With sulfuric acid 1.) carbon tetrachloride, 5 deg C, 3 min, 2.) 5 deg C, 4.5 h; Yield given. Multistep reaction;
non-1-ene
124-11-8

non-1-ene

carbon monoxide
201230-82-2

carbon monoxide

A

2-methyl-2-ethyl heptanoic acid
31080-38-3

2-methyl-2-ethyl heptanoic acid

B

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

C

nonane-3-carboxylic acid
25234-25-7

nonane-3-carboxylic acid

D

2-methyl-2-propylhexanoic acid
31080-37-2

2-methyl-2-propylhexanoic acid

Conditions
ConditionsYield
With copper(I) oxide; (BF3*H2O)(BF3*H3PO4) at 30℃; under 760 Torr; for 4h; Product distribution; other catalyst;A 50 % Turnov.
B 26 % Turnov.
C 15 % Turnov.
D 9 % Turnov.
ethene
74-85-1

ethene

isobutyric Acid
79-31-2

isobutyric Acid

A

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

B

other carboxylic acids

other carboxylic acids

Conditions
ConditionsYield
With oxygen; 1,2-di(benzylidene)hydrazine at 275℃; under 514855 Torr;
2,2-dimethyl-1-phenyl-octan-1-one
873416-40-1

2,2-dimethyl-1-phenyl-octan-1-one

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NaNH2; benzene
2: concentrated H2SO4; NaNO2
View Scheme
Multi-step reaction with 2 steps
1: NaNH2; toluene
2: concentrated H2SO4; (NO2)2SO4; water / 45 - 60 °C
View Scheme
2,2-dimethyl-3-octenoic acid

2,2-dimethyl-3-octenoic acid

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With N2; palladium In ethanol
1-bromo-hexane
111-25-1

1-bromo-hexane

isobutyric Acid
79-31-2

isobutyric Acid

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With n-butyllithium; nitrogen; diisopropylamine In tetrahydrofuran; diethyl ether; hexane; water; mineral oil
ethyl 2,2-dimethyloctanoate
59415-01-9

ethyl 2,2-dimethyloctanoate

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol; water for 2h; Reflux;
1-Iodohexane
638-45-9

1-Iodohexane

dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C
1.2: -78 - 20 °C
2.1: sodium hydroxide / water; methanol / 2 h / Reflux
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

neodymium(III) chloride hydrate

neodymium(III) chloride hydrate

neodymium neodecanoate

neodymium neodecanoate

Conditions
ConditionsYield
Stage #1: dimethyloctanoic acid With sodium hydroxide In ethanol; water at 20℃; for 1h;
Stage #2: neodymium(III) chloride hydrate In ethanol; hexane; water at 20℃; for 15h;
96%
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

4-Benzyloxyphenol
103-16-2

4-Benzyloxyphenol

4-(benzyloxy)phenyl 2,2-dimethyloctanoate

4-(benzyloxy)phenyl 2,2-dimethyloctanoate

Conditions
ConditionsYield
Stage #1: dimethyloctanoic acid With oxalyl dichloride; triethylamine In dichloromethane at 0℃; for 2h; Inert atmosphere;
Stage #2: 4-Benzyloxyphenol With triethylamine; N,N-dimethyl-formamide In dichloromethane at 0 - 20℃; for 15h;
49%
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

2,2-dimethyloctanoic acid chloride
17701-32-5

2,2-dimethyloctanoic acid chloride

Conditions
ConditionsYield
With thionyl chloride
With thionyl chloride for 1h; Reflux;
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃;
With thionyl chloride In benzene for 4h; Reflux;
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

sodium-salt of/the/ 2,2-dimethyl-octanoic acid

sodium-salt of/the/ 2,2-dimethyl-octanoic acid

A

oct-1-ene
111-66-0

oct-1-ene

B

2-methyl-1-octene
4588-18-5

2-methyl-1-octene

C

2-methyl-oct-2-ene(?)

2-methyl-oct-2-ene(?)

Conditions
ConditionsYield
at 400℃;
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

2,2-dimethyloctanamide
103906-30-5

2,2-dimethyloctanamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride
2: water; ammonia
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

2,2-dimethyl-octanoic acid anilide
97725-04-7

2,2-dimethyl-octanoic acid anilide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

A

5-benzoyl-4-butyl-2,2-dimethylcyclopentanone

5-benzoyl-4-butyl-2,2-dimethylcyclopentanone

B

4-benzoyl-2,2-dimethyl-3-pentylcyclobutanone

4-benzoyl-2,2-dimethyl-3-pentylcyclobutanone

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: C7H16AuO3S; water / methanol / 12 h / 70 °C
5: triethylamine; 4-toluenesulfonyl azide / acetonitrile / 4 h / 0 - 20 °C
6: t-BuBrettPhosAuNTf2; 8-isopropyl-quinoline-N-oxide / 1,2-dichloro-ethane / 96 h / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

4-butyl-2,2-dimethyl-5-pentanoylcyclopentanone

4-butyl-2,2-dimethyl-5-pentanoylcyclopentanone

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: C33H48NP*Au(1+)*Cl(1-); silver(I) triflimide; 8-isopropyl-quinoline-N-oxide / fluorobenzene / 2 h / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

4-benzoyl-2,2-dimethyl-3-pentylcyclobutanone

4-benzoyl-2,2-dimethyl-3-pentylcyclobutanone

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: t-BuBrettPhosAuNTf2; 8-isopropyl-quinoline-N-oxide / 1,2-dichloro-ethane / 2 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: 8-methylquinoline 1-oxide; C33H48NP*Au(1+)*Cl(1-) / fluorobenzene / 12 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: 8-methylquinoline 1-oxide; silver(I) triflimide; (1,3-dimesitylimidazol-2-ylidene)gold(I) chloride / fluorobenzene / 2 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: 8-methylquinoline 1-oxide; C33H48NP*Au(1+)*Cl(1-); silver(I) triflimide / fluorobenzene / 2 h / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

4,4-dimethyl-1-phenyldec-1-yn-3-one

4,4-dimethyl-1-phenyldec-1-yn-3-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

8,8-dimethyltetradec-5-yn-7-one

8,8-dimethyltetradec-5-yn-7-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

N-methoxy-N,2,2-trimethyloctanamide

N-methoxy-N,2,2-trimethyloctanamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 20 °C
2: dmap; pyridine / dichloromethane / 0 - 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

2-diazo-4,4-dimethyl-1-phenyldecane-1,3-dione

2-diazo-4,4-dimethyl-1-phenyldecane-1,3-dione

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: C7H16AuO3S; water / methanol / 12 h / 70 °C
5: triethylamine; 4-toluenesulfonyl azide / acetonitrile / 4 h / 0 - 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

C18H26O2

C18H26O2

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / 1 h / Reflux
2: pyridine / dichloromethane / 0 - 20 °C
3: tetrahydrofuran / -78 - 20 °C
4: C7H16AuO3S; water / methanol / 12 h / 70 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

1,1-dimethyl-heptyl isocyanate
858491-52-8

1,1-dimethyl-heptyl isocyanate

Conditions
ConditionsYield
With diphenylphosphoranyl azide; triethylamine In toluene at 0 - 100℃; for 14h; Inert atmosphere;
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

1,1-dimethylheptylamine hydrochloride

1,1-dimethylheptylamine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: diphenylphosphoranyl azide; triethylamine / toluene / 14 h / 0 - 100 °C / Inert atmosphere
2: hydrogenchloride / water; acetic acid / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

1,1-dimethylheptylamine
2626-63-3

1,1-dimethylheptylamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: diphenylphosphoranyl azide; triethylamine / toluene / 14 h / 0 - 100 °C / Inert atmosphere
2: hydrogenchloride / water; acetic acid / 20 °C
View Scheme
dimethyloctanoic acid
29662-90-6

dimethyloctanoic acid

C17H38AlN

C17H38AlN

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: diphenylphosphoranyl azide; triethylamine / toluene / 14 h / 0 - 100 °C / Inert atmosphere
2: hydrogenchloride / water; acetic acid / 20 °C
3: tetrahydrofuran; toluene / 2 h / 0 - 20 °C / Inert atmosphere
View Scheme

29662-90-6Relevant academic research and scientific papers

METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR

-

Paragraph 0174, (2016/08/03)

A β1-ADR agonist prodrug compound, which is hydrolysable in vivo to release a β1-ADR agonist compound, and which prodrug compound contains a group which imparts greater lipophilicity and CNS bioavailability to the prodrug compound relative to the β1-ADR agonist compound.

A C-H Insertion Approach to Functionalized Cyclopentenones

Wang, Youliang,Zarca, Maxence,Gong, Liu-Zhu,Zhang, Liming

supporting information, p. 7516 - 7519 (2016/07/06)

Cyclopentenones are synthetically versatile structures, and their straightforward construction from alkynone substrates by employing synthetically streamlining C-H insertion is conceptually appealing and of high synthetic potential. But, its implementation is very limited. Herein we report a Au-catalyzed version, which affords 2-bromocyclopent-2-en-1-ones with a broad scope and synthetically desirable diastereoselectivities. The proposed key intermediate capable of the observed insertion into unactivated C-H bonds is a fully functionalized gold vinylidene, which is generated via a novel intermolecular strategy. This flexible access of likely gold vinylidenes opens various opportunities to explore their versatile reactivities.

Palladium-Catalyzed Arylation of Unactivated γ-Methylene C(sp3)-H and δ-C-H Bonds with an Oxazoline-Carboxylate Auxiliary

Ling, Peng-Xiang,Fang, Sheng-Long,Yin, Xue-Song,Chen, Kai,Sun, Bo-Zheng,Shi, Bing-Feng

, p. 17503 - 17507 (2016/01/25)

A palladium-catalyzed arylation of unactivated γ-methylene C(sp3)-H and remote δ-C-H bonds by using an oxazoline-carboxylate directing group has been developed. Arylation occurs with a broad substrate scope and high tolerance of functional groups (i.e., halogen, nitro, cyano, ether, trifluoromethyl, amine, and ester). The oxazoline-type auxiliary can be removed under acidic conditions.

Intramolecular insertions into unactivated C(sp3)-H bonds by oxidatively generated β-diketone-α-gold carbenes: Synthesis of cyclopentanones

Wang, Youliang,Zheng, Zhitong,Zhang, Liming

supporting information, p. 5316 - 5319 (2015/05/13)

Generation of reactive α-oxo gold carbene intermediates via gold-catalyzed oxidation of alkynes has become an increasing versatile strategy of replacing hazardous diazo carbonyl compounds with benign and readily available alkynes in the development of efficient synthetic methods. However, one of the hallmarks of metal carbene/carbenoid chemistry, i.e., insertion into an unactivated C(sp3)-H bond, has not be realized. This study reveals for the first time that this highly valuable transformation can be readily realized intramolecularly by oxidatively generated β-diketone-α-gold carbenes using ynones as substrates. Substrate conformation control via the Thorpe-Ingold effect is the key design feature that enables generally good to excellent efficiencies, and synthetically versatile cyclopentanones including spiro-, bridged, and fused bicyclic ones can be readily accessed.

Esters of (+)- alpha -(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol

-

, (2008/06/13)

The present invention is directed to esters of (+)- alpha -(2,3 Dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol, pharmaceutical formulations, methods of making and methods of using these esters. These compounds antagonize the effects of serotonin at the 5HT2A receptor and are useful in treating various conditions such as, for example, psychoses such as schizophrenia.

1,3,5-triazine-2,4,6-tris-alkylaminocarboxylic acid amino esters, biocidal agents containing such esters, and methods of preparing them

-

, (2008/06/13)

1,3,5-Triazine-2,4,6-tris-alkylaminocarboxylic acid amino esters of the general formula (I): 1,3,5-triazine-2,4,6-tris[NH--(CH2)n --CO--O--R1 ], in which R1 denotes the radical of an alkanolamine, can be employed as biocidal or biostatic compounds in aqueous systems, in particular in cooling lubricants.

Platinum complexes of single isomer neoalkyl acids

-

, (2008/06/13)

This invention relates to pure single isomers of neoalkyl carboxylic acids and platinum complexes comprising the single isomer neoacids. The use of liposomes incorporating these complexes and used in anti-tumor chemotherapy is also described. A particularly preferred liposomal formulation comprising a saturated phosphatidylcholine is described.

HIGHLY SELECTIVE SYNTHESIS OF ACYCLIC TERT-ALIPHATIC CARBOXYLIC ACIDS FROM ACYCLIC TERT-ALCOHOLS USING SULFURIC ACID SUPERSATURATED WITH CARBON MONOXIDE

Takahashi, Yukio,Yoneda, Norihiko

, p. 1945 - 1954 (2007/10/02)

The selective carboxylation of acyclic tert-aliphatic alcohols was successfully performed to produce the corresponding acyclic tert-aliphatic carboxylic acids in significantly high yields using concentrated sufuric acid supersaturated with carbon monoxide.

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