Conditions | Yield |
---|---|
at 200℃; Temperature; | 96.2% |
at 275℃; | |
With benzene at 0℃; | |
With toluene | |
In 1,4-dioxane at 0 - 20℃; |
chloro(chlorosulfanyl)methanone
dimethyl amine
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
Stage #1: chloro(chlorosulfanyl)methanone; dimethyl amine In dichloromethane at 40℃; Inert atmosphere; Stage #2: With chlorine In dichloromethane at 20℃; | 88% |
bis(trichloromethyl) carbonate
dimethyl amine
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
With sodium hydroxide for 0.0333333h; Neat (no solvent); | 88% |
With sodium hydrogencarbonate In dichloromethane at -10℃; | 50.4% |
With pyridine In dichloromethane at 0 - 5℃; |
Conditions | Yield |
---|---|
Stage #1: Thiram With chlorine In dichloromethane at 24 - 26℃; for 6.33333h; Cooling with ice; Stage #2: With water; sodium hydrogencarbonate In dichloromethane Cooling with ice; | 86.2% |
Thiram
A
N,N-Dimethylthiocarbamoyl chloride
B
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
With sulfuryl dichloride In benzene at 50℃; for 6h; | A 83.2% B 3.1% |
With sulfuryl dichloride In benzene at 60℃; for 4h; | A 83.2% B 4.8% |
N-Methoxy-N-chloro-N',N'-dimethylurea
A
methyl N,N-dimethylcarbamate
B
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
In tetrachloromethane at 20℃; for 600h; | A 63.3% B 70% |
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon at 55℃; under 750.075 Torr; for 2h; Reagent/catalyst; Temperature; | 56% |
Conditions | Yield |
---|---|
With trichlorophosphate In acetonitrile for 3.5h; Heating; | 46.6% |
diethyl 2-amino-6-[(hydroxycarbamoyl)-methyl]-azulene-1,3-dicarboxylate sodium
B
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide | A 17% B n/a |
Conditions | Yield |
---|---|
at 17℃; Geschwindigkeit der Zersetzung; |
Conditions | Yield |
---|---|
je nach Bedingungen; |
phosgene
toluene
trimethylamine
A
methylene chloride
B
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
at 60 - 70℃; |
phosgene
trimethylamine
A
methylene chloride
B
N,N-Dimethylcarbamoyl chloride
C7H18ClN3O2P(1+)*Cl(1-)
A
N,N,N',N'-Tetramethylphosphorodiamidic chloride
B
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
In diethyl ether; dichloromethane Product distribution; |
dimethyl amine
trichloromethyl chloroformate
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
In 1,4-dioxane at 55 - 60℃; for 4h; |
N,N-dimethyl-formamide
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
With trichlorophosphate at 0℃; for 0.25h; | |
With thionyl chloride | |
With oxalyl dichloride In dichloromethane at 20℃; for 16.5h; |
1-(benzyloxy)-2,4-pentanedione
3-imino-3-<<2-(diisopropylamino)ethyl>amino>propionate
A
N,N-dimethyl-N'-<6-<(benzyloxy)methyl>-4-methyl-2-pyridyl>-N'-<2-(diisopropylamino)ethyl>urea
B
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
With potassium hydroxide; copper Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
With toluene at 60 - 70℃; |
Conditions | Yield |
---|---|
In benzene |
Methanesulfenyl chloride
S-methyl dimethylthiocarbamate
A
Dimethyldisulphide
B
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
In hexane at 20℃; for 1h; |
Conditions | Yield |
---|---|
With chlorine In hexane at 20 - 40℃; |
Conditions | Yield |
---|---|
In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere; |
Conditions | Yield |
---|---|
With thionyl chloride for 3h; Reflux; |
Conditions | Yield |
---|---|
Stage #1: 3-methyl-phenol With sodium hydride In N,N-dimethyl-formamide at 20℃; Stage #2: N,N-Dimethylcarbamoyl chloride In N,N-dimethyl-formamide at 20℃; for 0.5h; | 100% |
Stage #1: 3-methyl-phenol With pyridine; potassium carbonate In acetonitrile for 0.333333h; Stage #2: N,N-Dimethylcarbamoyl chloride In acetonitrile for 2h; | 85% |
With pyridine In benzene |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane for 3h; | 100% |
trimethylsilyl cyanide
N,N-Dimethylcarbamoyl chloride
6-cyanothieno<2,3-b>pyridine
Conditions | Yield |
---|---|
In dichloromethane | 100% |
trimethylsilyl cyanide
N,N-Dimethylcarbamoyl chloride
thieno<2,3-b>pyridine 7-oxide
6-cyanothieno<2,3-b>pyridine
Conditions | Yield |
---|---|
In dichloromethane | 100% |
4-chloropyridine N-oxide
N,N-Dimethylcarbamoyl chloride
4-chloro-pyridine-2-carbonitrile
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane | 100% |
With potassium carbonate In dichloromethane | 100% |
trimethylsilyl cyanide
N,N-Dimethylcarbamoyl chloride
4-chloro-pyridine-2-carbonitrile
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane | 100% |
trimethylsilyl cyanide
N,N-Dimethylcarbamoyl chloride
2-cyano-4-methoxylpyridine
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane | 100% |
4-carbethoxypiperidine
N,N-Dimethylcarbamoyl chloride
ethyl 1-(N,N-Dimethylcarbamoyl)-4-piperidinecarboxylate
Conditions | Yield |
---|---|
With triethylamine at 20℃; | 100% |
2-(N,N-dimethylcarbamoylthio)-4-phenyl-imidazole
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
In pyridine; chloroform; water | 100% |
2,3-dimethylbenzenethiol
N,N-Dimethylcarbamoyl chloride
dimethyl-thiocarbamic acid S-(2,3-dimethylphenyl) ester
Conditions | Yield |
---|---|
Stage #1: 2,3-dimethylbenzenethiol; N,N-Dimethylcarbamoyl chloride With sodium hydride In tert-butyl methyl ether at 0 - 60℃; for 1.5h; Stage #2: With hydrogenchloride In tert-butyl methyl ether; water Stage #3: With sodium hydroxide In tert-butyl methyl ether; water Product distribution / selectivity; | 100% |
Stage #1: 2,3-dimethylbenzenethiol; N,N-Dimethylcarbamoyl chloride With potassium carbonate In tert-butyl methyl ether at 0 - 60℃; for 29h; Stage #2: With hydrogenchloride In tert-butyl methyl ether; water at 0℃; Stage #3: With sodium hydroxide In tert-butyl methyl ether; water Product distribution / selectivity; | 100% |
Niclosamide
N,N-Dimethylcarbamoyl chloride
4-chloro-2-((2-chloro-4-nitrophenyl)carbamoyl)phenyl dimethylcarbamate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran Reflux; | 100% |
With pyridine; dmap Reflux; |
2-deuterio-4-methylphenol
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
With triethylamine In chloroform at 0 - 20℃; | 100% |
3,3-dimethyl-2-(3-methylamino-phenyl)-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester
N,N-Dimethylcarbamoyl chloride
3,3-dimethyl-2-[3-(trimethyl-ureido)-phenyl]-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 25℃; for 12h; | 100% |
With pyridine In dichloromethane at 0 - 25℃; for 12h; |
Conditions | Yield |
---|---|
With sodium hydroxide In ethyl acetate at 50℃; for 16h; Reagent/catalyst; | 100% |
Conditions | Yield |
---|---|
With sodium hydroxide In ethyl acetate at 50℃; for 16h; Reagent/catalyst; | 100% |
Conditions | Yield |
---|---|
With sodium hydroxide In ethyl acetate at 50℃; for 16h; Reagent/catalyst; | 100% |
N,N-Dimethylcarbamoyl chloride
methyl 2-bromo-6-hydroxy-4-methoxybenzoate
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 0.5h; | 100% |
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 2h; | 100% |
tert-butyl 1,4-diazepine-1-carboxylate
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 2h; | 100% |
dimethyl-pyrrolidin-3-yl-amine
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 2h; | 100% |
4-n-Propylphenol
N,N-Dimethylcarbamoyl chloride
4-propylphenyl dimethylcarbamate
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 8h; Sealed tube; Reflux; | 100% |
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 8h; | 100% |
N,N-Dimethylcarbamoyl chloride
methyl salicylate
methyl 2-((dimethylcarbamoyl)oxy)benzoate
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 60℃; for 18h; | 100% |
(-)-meptazinol
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
Stage #1: (-)-meptazinol With sodium hydride In tetrahydrofuran for 0.5h; Stage #2: N,N-Dimethylcarbamoyl chloride In tetrahydrofuran at 0 - 20℃; for 2h; | 100% |
N,N-Dimethylcarbamoyl chloride
Conditions | Yield |
---|---|
Stage #1: 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride With triethylamine In dichloromethane Stage #2: N,N-Dimethylcarbamoyl chloride In dichloromethane | 100% |
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane for 24h; Reflux; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 60℃; for 12h; | 99.8% |
trimethylsilyl isocyanate
N,N-Dimethylcarbamoyl chloride
A
chloro-trimethyl-silane
B
dimethylcarbamoyl isocyanate
Conditions | Yield |
---|---|
With tin(IV) chloride at 100 - 120℃; for 5h; | A 99% B 90% |
6-hydroxy-2H-naphtho<1,8-b,c>furan-2-one
N,N-Dimethylcarbamoyl chloride
Dimethyl-carbamic acid 2-oxo-2H-naphtho[1,8-bc]furan-6-yl ester
Conditions | Yield |
---|---|
With pyridine for 16h; Heating; | 99% |
Conditions | Yield |
---|---|
With sodium carbonate In dichloromethane for 60h; Ambient temperature; | 99% |
The IUPAC name of this chemical is N,N-dimethylcarbamoyl chloride. With the CAS registry number 79-44-7, it is also named as Chloroformic acid dimethylamide. The product's categories are Pharmaceutical Intermediates; Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry. It is a colorless to yellow liquid with a pungent odor. And it is soluble in ether, carbon disulfide, benzene and other organic solvents. Additionally, Dimethylcarbamoyl chloride reacts with water or moisture in the air to form hydrochloric acid and dimethylcarbamic acid. Moreover, it should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.23; (8)ACD/KOC (pH 7.4): 32.23; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.436; (13)Molar Refractivity: 24.54 cm3; (14)Molar Volume: 93.8 cm3; (15)Polarizability: 9.73×10-24 cm3; (16)Surface Tension: 30.6 dyne/cm; (17)Enthalpy of Vaporization: 40.32 kJ/mol; (18)Vapour Pressure: 1.76 mmHg at 25°C; (19)Exact Mass: 107.013792; (20)MonoIsotopic Mass: 107.013792; (21)Topological Polar Surface Area: 20.3; (22)Heavy Atom Count: 6; (23)Complexity: 61.8.
Preparation of Dimethylcarbamoyl chloride: The formyl chlorination of dimethylamine and phosgene to get crude Dimethylchloroformamide. Then we can get the product by deacidification. Reaction equation: (CH3)2NH+COCl2→(CH3)2NCOCl + HCl
Uses of Dimethylcarbamoyl chloride: It is used in the production of medicine, pesticide, dyes, plastics, synthetic materials, and other fine organic chemical products, such as for the production of Neostigmine bromide and Neostigmine methyl sulfate. And it also can react with pyridin-3-ol to get dimethyl-carbamic acid-[3]pyridyl ester. This reaction needs reagent pyridine.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and irritating to eyes, respiratory system and skin. In addition, this chemical may cause cancer. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Avoid exposure - obtain special instructions before use.
People can use the following data to convert to the molecule structure.
1. SMILES:ClC(=O)N(C)C
2. InChI:InChI=1/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
3. InChIKey:YIIMEMSDCNDGTB-UHFFFAOYAG
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LCLo | inhalation | 1000mg/m3/10M (1000mg/m3) | National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. OCT1942, | |
mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 24, Pg. 71, 1974. |
rat | LC50 | inhalation | 180ppm/6H (180ppm) | Journal of Environmental Pathology and Toxicology. Vol. 4(1), Pg. 107, 1980. | |
rat | LD50 | oral | 1gm/kg (1000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 24, Pg. 71, 1974. |
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