Conditions | Yield |
---|---|
With sulfuryl dichloride; water In chlorobenzene at 20 - 65℃; for 3h; Reagent/catalyst; | A 97.2% B 143 g |
With water; chlorine In chlorobenzene at 20 - 65℃; for 3h; Reagent/catalyst; |
Conditions | Yield |
---|---|
Stage #1: 2-(dodecylthio)benzonitrile With sulfuryl dichloride; water In chlorobenzene at 20 - 65℃; for 3h; Stage #2: With sodium hydroxide In water at 60 - 65℃; pH=9 - 10; Stage #3: With hydrogenchloride In water at 20 - 30℃; pH=3 - 4; Reagent/catalyst; | A 106 g B 97.2% C 143 g |
Conditions | Yield |
---|---|
With hydrogenchloride; cetyltrimethylammonim bromide for 16h; Heating; | 97% |
With tetrachloromethane; 2-(2-(diphenylphosphino)ethyl)pyridine In chloroform at 35℃; for 1h; Product distribution; Mechanism; other aliphatic alcohols; var rection conditions and amounts of reagents; | 97% |
With pyridine; benzyltri(n-butyl)ammonium chloride; benzenesulfonyl chloride for 0.166667h; Reflux; Inert atmosphere; | 96% |
1-chlorododecane
Conditions | Yield |
---|---|
at 60℃; for 2h; | 95% |
at 60℃; for 2h; |
dodecyl mesylate
1-chlorododecane
Conditions | Yield |
---|---|
With lithium chloride In tetrahydrofuran for 24h; Inert atmosphere; Reflux; | 94% |
n-dodecyl chloroformate
1-chlorododecane
Conditions | Yield |
---|---|
With N,N-dimethyl-formamide at 26 - 32℃; | 91% |
Conditions | Yield |
---|---|
With chromium dichloride; benzaldehyde In N,N-dimethyl-formamide at 30℃; for 16h; | A 7% B 88% |
1-Iodododecane
benzaldehyde
A
1-phenyl-1-dodecanol
B
1-chlorododecane
Conditions | Yield |
---|---|
With chromium dichloride In N,N-dimethyl-formamide at 30℃; for 16h; | A 7% B 88% |
1-dodecyl alcohol
benzoyl chloride
A
dodecyl benzoate
B
1-chlorododecane
Conditions | Yield |
---|---|
With 2,3-diethyl-2-cyclopropen-1-one In tert-butyl methyl ether at 40℃; for 6h; Catalytic behavior; Reagent/catalyst; Temperature; | A n/a B 87% |
With N,N-dimethyl-formamide In 1,4-dioxane at 20℃; for 20h; | |
With 1,1'-sulfinylbisbenzene In acetonitrile at 40℃; for 20h; Catalytic behavior; Temperature; Sealed tube; |
Conditions | Yield |
---|---|
With thionyl chloride In N,N-dimethyl-formamide at 100℃; for 1h; | 81% |
Conditions | Yield |
---|---|
With bis(cyclopentadienyl)titanium dichloride; triethylaluminum; 1,2-dibromomethane In hexane at 20℃; for 24h; Solvent; | A 77% B 22% |
Conditions | Yield |
---|---|
With diphenylcyclopropenone In tert-butyl methyl ether at 20℃; for 20h; | A n/a B 72% |
1-pyrrolidinecarboxaldehyde
1-dodecyl alcohol
A
1-dodecanyl formate
B
1-chlorododecane
Conditions | Yield |
---|---|
With 1,3,5-trichloro-2,4,6-triazine In acetone at 80℃; for 21h; Solvent; Temperature; Sealed tube; Green chemistry; | A 15 %Spectr. B 72% |
With benzoyl chloride In acetonitrile at 20℃; for 4h; |
Conditions | Yield |
---|---|
With N-chloro-succinimide In tetrahydrofuran for 16h; Ambient temperature; Irradiation; | A n/a B 68% |
1-dodecyl alcohol
ethyl acetate
A
lauryl acetate
B
1-chlorododecane
Conditions | Yield |
---|---|
With 1-pyrrolidinecarboxaldehyde; 1,3,5-trichloro-2,4,6-triazine at 80℃; for 5h; Sealed tube; Green chemistry; | A 27 %Spectr. B 61% |
1-dodecyl alcohol
acetyl chloride
A
lauryl acetate
B
1-chlorododecane
Conditions | Yield |
---|---|
With diphenylcyclopropenone In tert-butyl methyl ether at 20℃; for 20h; | A n/a B 46% |
Conditions | Yield |
---|---|
at 240 - 280℃; thermische Chlorierung in der Gasphase; |
dodecane
A
2-chlorododecane
B
4-chloro-dodecane
C
3-chlorododecane
D
1-chlorododecane
Conditions | Yield |
---|---|
Chlorieren;mit UV-Licht;Produkt5-6:5-Chlor-dodecan,6-Chlor-dodecan;analog verlaeuft die Nitrierung mit Salpetersaeure-Daempfen bei 170grad.Irradiation; |
Conditions | Yield |
---|---|
With hydrogenchloride at 50 - 200℃; unter Druck; |
1-Dodecanesulfonyl chloride
1-chlorododecane
Conditions | Yield |
---|---|
With xylene |
dodecane
A
2-chlorododecane
B
1,12-dichlorododecane
C
1,2-dichlorododecane
D
3-chlorododecane
E
1-chlorododecane
Conditions | Yield |
---|---|
With zeolite LZ 105; chlorine Product distribution; Mechanism; Irradiation; other 1-substituted alkanes; |
C18H30Cl2Se
1-chlorododecane
Conditions | Yield |
---|---|
With chloride Ambient temperature; Yield given; |
dichloro(dodecyl)phenyltellurium
A
diphenyl ditelluride
B
1-chlorododecane
Conditions | Yield |
---|---|
With sodium chloride In N,N-dimethyl-formamide at 100℃; Yield given; |
dodecane
A
1,12-dichlorododecane
B
1,2-dichlorododecane
C
1,1-dichlorododecane
D
1-chlorododecane
Conditions | Yield |
---|---|
With KLZ-105 zeolite; chlorine Irradiation; | |
With LiLZ-105 zeolite; chlorine Irradiation; | |
With CsLZ-105 zeolite; chlorine Irradiation; |
dodecane
A
1,12-dichlorododecane
B
1,2-dichlorododecane
C
1,1-dichlorododecane
D
1-chlorododecane
Conditions | Yield |
---|---|
With LiLZ-105 zeolite; chlorine at 24 - 73℃; Product distribution; Mechanism; Irradiation; other LZ-105 zeolites; |
Conditions | Yield |
---|---|
With N-chloro-succinimide; triphenylphosphine In dichloromethane at 20℃; for 0.75h; | 75 % Spectr. |
Multi-step reaction with 2 steps 1.1: tetrabutylammomium bromide; sodium hydroxide / chlorobenzene; water / 4 h / 65 - 70 °C / Inert atmosphere 2.1: water; sulfuryl dichloride / chlorobenzene / 3 h / 20 - 65 °C 2.2: 60 - 65 °C / pH 9 - 10 2.3: 20 - 30 °C / pH 3 - 4 View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 2: 1.) base, 2.) O-(2,4-dinitrophenyl)hydroxylamine 3: 68 percent / NCS / tetrahydrofuran / 16 h / Ambient temperature; Irradiation View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1.) base, 2.) O-(2,4-dinitrophenyl)hydroxylamine 2: 68 percent / NCS / tetrahydrofuran / 16 h / Ambient temperature; Irradiation View Scheme |
p-N,N-dimethylamino benzamidopropyldimethylamine
1-chlorododecane
p-N,N-dimethylaminobenzamidopropyl(dimethyl)(lauryl)ammonium chloride
Conditions | Yield |
---|---|
at 110℃; for 20h; | 99.9% |
(p-methoxycinnamidopropyl)dimethylamine
1-chlorododecane
p-methoxy cinnamidopropyldimethyllauryl ammonium chloride
Conditions | Yield |
---|---|
at 110℃; for 20h; | 99.9% |
1-chlorododecane
(-)-(2S)-trifluoromethanesulfonyloxy-propionic acid tert-butyl ester
(+)-(2S)-methyl-tetradecanoic acid tert-butyl ester
Conditions | Yield |
---|---|
Stage #1: 1-chlorododecane With magnesium In tetrahydrofuran Inert atmosphere; Stage #2: (-)-(2S)-trifluoromethanesulfonyloxy-propionic acid tert-butyl ester With zinc(II) chloride In tetrahydrofuran at 0℃; for 3h; Inert atmosphere; optical yield given as %ee; enantiospecific reaction; | 99% |
1-Methylpyrrolidine
1-chlorododecane
1-dodecyl-1-methylpyrrolidinium chloride
Conditions | Yield |
---|---|
for 0.333333h; Microwave irradiation; | 98% |
at 70 - 100℃; | |
In toluene at 114.84℃; for 24h; Inert atmosphere; |
1,5-diamino-3-azapentane
1-chlorododecane
2-[2-(n-dodecylamino)ethylamino]ethylamine
Conditions | Yield |
---|---|
at 160℃; for 1h; | 97.6% |
Conditions | Yield |
---|---|
at 110 - 120℃; for 1h; | 97% |
In ethanol for 24h; Reflux; | 82% |
In ethanol for 24h; Heating; | 45% |
Conditions | Yield |
---|---|
at 100℃; for 72h; Inert atmosphere; | 97% |
at 160℃; for 0.25h; Microwave irradiation; Neat (no solvent); | 92% |
for 0.05h; Microwave irradiation; neat (no solvent); | 92% |
4,4,5,5‐tetramethyl‐2‐[5‐phenyl‐1‐(4,4,5,5‐tetramethyl‐1,3,2‐dioxaborolan‐2‐yl)propyl]‐1,3,2‐dioxaborolane
1-chlorododecane
Conditions | Yield |
---|---|
With potassium tert-butylate In toluene at 20℃; for 3h; Sealed tube; | 97% |
1-chlorododecane
Azone
Conditions | Yield |
---|---|
95.2% |
1-chlorododecane
dodecyl azide
Conditions | Yield |
---|---|
With trimethylsilylazide; tetrabutyl ammonium fluoride In tetrahydrofuran at 50℃; for 28h; | 95% |
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In acetonitrile at 82℃; for 3h; Product distribution; other temperature, reaction time; | 95% |
3-amino-4-chloro-benzoic acid
1-chlorododecane
n-dodecyl 3-amino-4-chlorobenzoate
Conditions | Yield |
---|---|
With potassium carbonate In methanol; water; dimethyl sulfoxide; ethyl acetate | 95% |
1,3,8-triaza-7,7,9,9-tetramethyl-spiro[4.5]decane-2,4-dione
1-chlorododecane
3-dodecyl-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4,5]decane-2,4-dione
Conditions | Yield |
---|---|
With potassium hydroxide; tetrabutyl ammonium fluoride In water; dimethyl sulfoxide; xylene for 5h; Product distribution / selectivity; Heating / reflux; | 94.2% |
With sodium hydroxide; tetrabutyl ammonium fluoride In water; dimethyl sulfoxide; xylene for 5h; Product distribution / selectivity; Heating / reflux; | 92.3% |
With potassium hydroxide; tetrabutyl-ammonium chloride In water; dimethyl sulfoxide; xylene for 5h; Product distribution / selectivity; Heating / reflux; | 88.3% |
2-Mercaptobenzothiazole
1-chlorododecane
2-hexadecylsulfanyl-benzothiazole
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide for 1h; Ambient temperature; | 94% |
Conditions | Yield |
---|---|
at 60℃; for 11h; | 94% |
at 80 - 85℃; for 5h; Alkylation; |
Conditions | Yield |
---|---|
In ethanol for 24h; Reflux; | 94% |
In ethanol for 24h; Heating; | 53% |
In ethanol for 24h; Reflux; |
1-chlorododecane
3-dodecyl-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4,5]decane-2,4-dione
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In water; dimethyl sulfoxide; xylene for 5h; Product distribution / selectivity; Heating / reflux; | 94% |
With tetrabutyl-ammonium chloride In water; dimethyl sulfoxide; xylene for 5h; Product distribution / selectivity; Heating / reflux; | 90% |
With tetrabutyl-ammonium chloride In dimethyl sulfoxide; xylene for 5h; Product distribution / selectivity; Heating / reflux; | 85.2% |
In water; dimethyl sulfoxide; xylene for 5h; Product distribution / selectivity; Heating / reflux; | 46.3% |
In dimethyl sulfoxide; xylene for 5h; Product distribution / selectivity; Heating / reflux; | 24% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide for 1h; Ambient temperature; | 93% |
Conditions | Yield |
---|---|
In toluene at 145℃; for 16h; | 93% |
Conditions | Yield |
---|---|
With trichlorosilane; tetra-n-butylphosphonium chloride at 170℃; for 4h; | 92% |
Conditions | Yield |
---|---|
at 145℃; for 16h; Inert atmosphere; neat (no solvent); | 92% |
1-chlorododecane
N,N-bis(2-sulfoethyl)-1-dodecanamine disodium salt
Conditions | Yield |
---|---|
With sodium hydroxide In water; acetone at 50℃; for 1h; pH=9 - 10; | 91.5% |
Conditions | Yield |
---|---|
With samarium diiodide In tetrahydrofuran at 40℃; Reduction; Irradiation; | 91% |
With samarium diiodide In tetrahydrofuran at 40℃; for 4h; Irradiation; | 91% |
With zirconocene dichloride; triethyl borane In tetrahydrofuran; hexane at 25℃; for 15h; | 73% |
Conditions | Yield |
---|---|
In toluene at 100℃; for 48h; Inert atmosphere; | 91% |
The IUPAC name of Dodecane, 1-chloro- is Laurylchloride. With the CAS registry number 112-52-7, it is also named as Lauryl chloride. The product's categories are alkyl chlorides; monofunctional & alpha,omega-bifunctional alkanes; monofunctional alkanes. It is clear colorless oily liquid which is insoluble in water, and soluble in benzene and ethanol. In addition, this chemical is combustible and may be incompatible with strong oxidizing and reducing agents. And it is also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.81; (4)ACD/LogD (pH 7.4): 6.81; (5)ACD/BCF (pH 5.5): 88850.8; (6)ACD/BCF (pH 7.4): 88850.8; (7)ACD/KOC (pH 5.5): 121291.77; (8)ACD/KOC (pH 7.4): 121291.77; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 62.49 cm3; (14)Molar Volume: 238 cm3; (15)Polarizability: 24.77×10-24 cm3; (16)Surface Tension: 28.1 dyne/cm; (17)Enthalpy of Vaporization: 47.8 kJ/mol; (18)Vapour Pressure: 0.0199 mmHg at 25°C; (19)Rotatable Bond Count: 10; (20)Exact Mass: 204.164479; (21)MonoIsotopic Mass: 204.164479; (22)Heavy Atom Count: 13; (23)Complexity: 81.2.
Preparation of Dodecane, 1-chloro-: It can be obtained by dodecan-1-ol with PPh3 and Me2SeCl2 in solvent benzene. The reaction time is 4.0 hours. The yield is 80%.
Uses of Dodecane, 1-chloro-: is used as Surfactants, plasticizers, organic synthesis intermediate. It can react with ethane-1,2-diamine to get N-dodecyl-ethylenediamine. This reaction needs reagent ethanol at temperature of 110 - 120 °C. The reaction time is 1 hours. The yield is 97%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to skin, so people should avoid contact with skin. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. If you want to contact this product, you must wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. SMILES: ClCCCCCCCCCCCC;
2. InChI: InChI=1/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3.
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