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43027-50-5

43027-50-5

Identification

  • Molecular Formula:C9H9N3O3

  • EINECS:

Synonyms:1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

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Safety information and MSDS

  • Pictogram(s):

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  • Hazard Statement:

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

  • Manufacture/Brand
  • Product Description
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  • Manufacture/Brand:TRC
  • Product Description:1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one
  • Packaging:100mg
  • Price:$ 155
  • Delivery:In stock
  • Buy Now
  • Manufacture/Brand:Matrix Scientific
  • Product Description:1,3-Dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one 97%
  • Packaging:1g
  • Price:$ 570
  • Delivery:In stock
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  • Manufacture/Brand:Atlantic Research Chemicals
  • Product Description:1,3-Dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one 95%
  • Packaging:1gm:
  • Price:$ 236.82
  • Delivery:In stock
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  • Manufacture/Brand:AK Scientific
  • Product Description:1,3-Dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
  • Packaging:1g
  • Price:$ 937
  • Delivery:In stock
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Relevant articles and documentsAll total 1 Articles be found

FLUOROALKYLATING AGENT

-

Paragraph 1319-1320, (2018/01/11)

Problem to be Solved It is intended to provide an industrially preferable fluoroalkylating agent and use thereof. Solution The present invention provides a fluoroalkylating agent represented by the general formula (1) wherein R1 is a C1 to C8 fluoroalkyl group; R2 and R3 are each independently a C1 to C12 alkyl group or the like; Y1 to Y4 are each independently a hydrogen atom, a halogen atom, or the like; and X? is a monovalent anion. A compound of the general formula (3): R4—S—R1 having an introduced C1 to C8 fluoroalkyl group is easily obtained by reacting a compound of the general formula (2): R4—S—Z wherein R4 is a hydrocarbon group or the like; and Z is a leaving group, with the compound of the general formula (1).

Process route upstream and downstream products

Process route

1,3-dimethyl-5-nitro-2-trifluoromethylbenzimidazolium triflate

1,3-dimethyl-5-nitro-2-trifluoromethylbenzimidazolium triflate

1-benzyloxy-5-thiocyanatopentane

1-benzyloxy-5-thiocyanatopentane

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

(5-benzyloxypentyl) trifluoromethyl sulfide

(5-benzyloxypentyl) trifluoromethyl sulfide

Conditions
ConditionsYield
Withpotassium carbonate;InN,N-dimethyl-formamide;at 10 - 35 ℃; for 17h;
41 %Chromat.
47 %Chromat.
1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

5-amino-1,3-dimethyl-1,3-dihydro-2H-benzo[d]imidazol-2-one
53439-88-6

5-amino-1,3-dimethyl-1,3-dihydro-2H-benzo[d]imidazol-2-one

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

1,3-dimethyl-5-<4-(4-hydroxyphenyl)-1-piperazinyl>-2(3H)-benzimidazolone
150916-78-2

1,3-dimethyl-5-<4-(4-hydroxyphenyl)-1-piperazinyl>-2(3H)-benzimidazolone

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: H2 / 10percent Pd/C / ethanol / 3 h / 1810.02 Torr / Ambient temperature
2: 57 percent / N,N-dimethylcyclohexylamine / butan-1-ol / 5 h / Heating
3: 83 percent / 48percent aq. hydrobromic acid / 5 h / Heating
1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

1,3-dimethyl-5-<4-(4-methoxyphenyl)-1-piperazinyl>-2(3H)-benzimidazolone
150916-76-0

1,3-dimethyl-5-<4-(4-methoxyphenyl)-1-piperazinyl>-2(3H)-benzimidazolone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2 / 10percent Pd/C / ethanol / 3 h / 1810.02 Torr / Ambient temperature
2: 57 percent / N,N-dimethylcyclohexylamine / butan-1-ol / 5 h / Heating
1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

1-<1,3-dimethyl-benzimidazol-2(3H)-on-5-yl>-4-<4-<<cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl>methyleneoxy>phenyl>piperazine
150916-80-6

1-<1,3-dimethyl-benzimidazol-2(3H)-on-5-yl>-4-<4-<methyleneoxy>phenyl>piperazine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: H2 / 10percent Pd/C / ethanol / 3 h / 1810.02 Torr / Ambient temperature
2: 57 percent / N,N-dimethylcyclohexylamine / butan-1-ol / 5 h / Heating
3: 83 percent / 48percent aq. hydrobromic acid / 5 h / Heating
4: 1.) sodium hydride / 1.) DMF, RT, 20 min., 2.) DMF, 80-90 deg, 5 h
1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

ethyl 1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[2-methyl-3-(trifluoromethyl)-benzyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

ethyl 1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[2-methyl-3-(trifluoromethyl)-benzyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr
2.1: triethylamine / ethanol / 1.5 h / Reflux
2.2: 7 h / 60 °C / Reflux
3.1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 3 h / 80 °C
Multi-step reaction with 3 steps
1.1: palladium 10% on activated carbon; hydrogen / ethanol / 6 h / 20 °C
2.1: triethylamine / ethanol / 1.5 h / 60 °C / Reflux
2.2: 7 h / Reflux
3.1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 3 h / 80 °C
1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

ethyl 3-(2,3-dichlorobenzyl)-1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

ethyl 3-(2,3-dichlorobenzyl)-1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr
2.1: triethylamine / ethanol / 1.5 h / Reflux
2.2: 7 h / 60 °C / Reflux
3.1: potassium carbonate; potassium iodide / acetonitrile / 3 h / 80 °C
1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

ethyl 3-(3-chloro-5-fluorobenzyl)-1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

ethyl 3-(3-chloro-5-fluorobenzyl)-1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr
2.1: triethylamine / ethanol / 1.5 h / Reflux
2.2: 7 h / 60 °C / Reflux
3.1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 1 h / 80 °C
1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[2-methyl-3-(trifluoromethyl)benzyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[2-methyl-3-(trifluoromethyl)benzyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr
2.1: triethylamine / ethanol / 1.5 h / Reflux
2.2: 7 h / 60 °C / Reflux
3.1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 3 h / 80 °C
4.1: hydrogenchloride; acetic acid / water / 1 h / 120 °C
Multi-step reaction with 4 steps
1.1: palladium 10% on activated carbon; hydrogen / ethanol / 6 h / 20 °C
2.1: triethylamine / ethanol / 1.5 h / 60 °C / Reflux
2.2: 7 h / Reflux
3.1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 3 h / 80 °C
4.1: acetic acid; water; hydrogenchloride / 1 h / 120 °C
1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
43027-50-5

1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one

3-(3-chloro-5-fluorobenzyl)-1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

3-(3-chloro-5-fluorobenzyl)-1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: hydrogen; palladium 10% on activated carbon / ethanol / 20 °C / 760.05 Torr
2.1: triethylamine / ethanol / 1.5 h / Reflux
2.2: 7 h / 60 °C / Reflux
3.1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 1 h / 80 °C
4.1: hydrogenchloride; acetic acid / water / 0.75 h / 120 °C

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