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Cas Database

56039-06-6

56039-06-6

56039-06-6

Identification

Synonyms:1H-Imidazole-4-carboxylicacid, 5-(cyanomethyl)-, methyl ester (9CI); Methyl (5-cyanomethyl)-1H-imidazole-4-carboxylate;Methyl 5-(cyanomethyl)imidazole-4-carboxylate

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Chemical Properties

  • PSA: 78.77000

  • LogP: 0.26238

Safety information and MSDS view more

  • Signal Word:no data available

  • Hazard Statement:no data available

  • 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 view more

  • Manufacture/Brand
  • Product Description
  • Packaging
  • Price
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  • Manufacture/Brand:AccelPharmtech
  • Product Description:4-(cyanomethyl)-1H-Imidazole-5-carboxylicacidmethylester 97.00%
  • Packaging:25G
  • Price:$ 13300
  • Delivery:In stock
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  • Manufacture/Brand:AccelPharmtech
  • Product Description:4-(cyanomethyl)-1H-Imidazole-5-carboxylicacidmethylester 97.00%
  • Packaging:5G
  • Price:$ 5360
  • Delivery:In stock
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  • Manufacture/Brand:AccelPharmtech
  • Product Description:4-(cyanomethyl)-1H-Imidazole-5-carboxylicacidmethylester 97.00%
  • Packaging:1G
  • Price:$ 3120
  • Delivery:In stock
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Relevant articles and documentsAll total 2 Articles be found

Synthesis of 3-deazaguanine, 3-deazaguanosine, and 3-deazaguanylic acid by a novel ring closure of imidazole precursors.

Cook,Rousseau,Mian,Dea,Meyer Jr.,Robins

, p. 1492 - 1498,1493,1496 (2007/10/05)

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Process route upstream and downstream products

Process route

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
56039-06-6

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

Conditions
Conditions Yield
Methyl-5-carbamoylmethyl-imidazol-4-carboxylat (1), POCl3;
5(4)-Carbamoylmethyl-imidazol-4(5)-carbonsaeure-methylester, POCl3;
methyl 4-(cyanomethyl)imidazole-5-carboxylate
56039-06-6

methyl 4-(cyanomethyl)imidazole-5-carboxylate

Conditions
Conditions Yield
Acetamido-Deriv. 2, POCl3, Δ;
entspr. Imidazolester 2, POCl3;
5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose
161169-94-4

5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
56039-06-6

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

methyl 5-cyanomethyl-1-(3-deoxy-4-O-p-toluoyl-2-O-acetyl-β-D-ribofuranosyl)-1H-imidazole-4-carboxylate
444019-01-6

methyl 5-cyanomethyl-1-(3-deoxy-4-O-p-toluoyl-2-O-acetyl-β-D-ribofuranosyl)-1H-imidazole-4-carboxylate

Conditions
Conditions Yield
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate; With ammonium sulfate; 1,1,1,3,3,3-hexamethyl-disilazane; Heating;
5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose; With tin(IV) chloride; In acetonitrile;
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate; With ammonium sulfate; 1,1,1,3,3,3-hexamethyl-disilazane; at 125 ℃; for 18h; Inert atmosphere;
5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose; With tin(IV) chloride; In dichloromethane; at 20 ℃;
2.06 g
5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose
161169-94-4

5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
56039-06-6

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

methyl 4-(cyanomethyl)imidazole-5-carboxylate
56039-06-6

methyl 4-(cyanomethyl)imidazole-5-carboxylate

methyl 5-cyanomethyl-1-(3-deoxy-4-O-p-toluoyl-2-O-acetyl-β-D-ribofuranosyl)-1H-imidazole-4-carboxylate
444019-01-6

methyl 5-cyanomethyl-1-(3-deoxy-4-O-p-toluoyl-2-O-acetyl-β-D-ribofuranosyl)-1H-imidazole-4-carboxylate

Conditions
Conditions Yield
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate; methyl 4-(cyanomethyl)imidazole-5-carboxylate; With ammonium sulfate; 1,1,1,3,3,3-hexamethyl-disilazane; at 125 ℃; for 18h; Argon atmosphere;
5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose; With tin(IV) chloride; In 1,2-dichloro-ethane; at 20 ℃;
5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose
161169-94-4

5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
56039-06-6

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

methyl 4-(cyanomethyl)imidazole-5-carboxylate
56039-06-6

methyl 4-(cyanomethyl)imidazole-5-carboxylate

methyl 5-cyanomethyl-1-(3-deoxy-4-O-p-toluoyl-2-O-acetyl-β-D-ribofuranosyl)-1H-imidazole-4-carboxylate
444019-01-6

methyl 5-cyanomethyl-1-(3-deoxy-4-O-p-toluoyl-2-O-acetyl-β-D-ribofuranosyl)-1H-imidazole-4-carboxylate

Conditions
Conditions Yield
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate; methyl 4-(cyanomethyl)imidazole-5-carboxylate; With ammonium sulfate; 1,1,1,3,3,3-hexamethyl-disilazane; at 125 ℃; for 18h; Argon atmosphere;
5-O-(4-methylbenzoyl)-3-deoxy-1,2-di-O-acetyl-β-D-ribofuranose; With tin(IV) chloride; In 1,2-dichloro-ethane; at 20 ℃;
1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose
6974-32-9

1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
56039-06-6

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

methyl 5-(cyanomethyl)-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)imidazole-4-carboxylate
58931-20-7

methyl 5-(cyanomethyl)-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)imidazole-4-carboxylate

Conditions
Conditions Yield
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate; With ammonium sulfate; 1,1,1,3,3,3-hexamethyl-disilazane; for 3h; Heating;
1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose; With tin(IV) chloride; In acetonitrile; at 20 ℃; for 3h;
92%
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
56039-06-6

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

1-[(2R,3R,5S)-3-Acetoxy-5-(4-methyl-benzoyloxymethyl)-tetrahydro-furan-2-yl]-5-(cyano-fluoro-methyl)-1H-imidazole-4-carboxylic acid methyl ester
862973-71-5

1-[(2R,3R,5S)-3-Acetoxy-5-(4-methyl-benzoyloxymethyl)-tetrahydro-furan-2-yl]-5-(cyano-fluoro-methyl)-1H-imidazole-4-carboxylic acid methyl ester

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1.1: HMDS; ammonium sulphate / Heating
1.2: SnCl4 / acetonitrile
2.1: NaH / acetonitrile / 0 °C
2.2: 65 percent / SelectfluorTM / acetonitrile; dimethylformamide / -45 °C
With ammonium sulfate; sodium hydride; 1,1,1,3,3,3-hexamethyl-disilazane; In acetonitrile;
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
56039-06-6

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

1-((2R,3R,4R,5R)-3,4-Bis-benzoyloxy-5-benzoyloxymethyl-tetrahydro-furan-2-yl)-5-(cyano-fluoro-methyl)-1H-imidazole-4-carboxylic acid methyl ester
862973-70-4

1-((2R,3R,4R,5R)-3,4-Bis-benzoyloxy-5-benzoyloxymethyl-tetrahydro-furan-2-yl)-5-(cyano-fluoro-methyl)-1H-imidazole-4-carboxylic acid methyl ester

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1.1: HMDS; ammonium sulphate / Heating
1.2: SnCl4 / acetonitrile
2.1: NaH / acetonitrile / 1 h / 0 °C
2.2: 60 percent / SelectfluorTM / acetonitrile; dimethylformamide / 0.5 h / -45 °C
With ammonium sulfate; sodium hydride; 1,1,1,3,3,3-hexamethyl-disilazane; In acetonitrile;
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
56039-06-6

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

1-((2R,3R,4R,5R)-3,4-Bis-benzoyloxy-5-benzoyloxymethyl-3-methyl-tetrahydro-furan-2-yl)-5-(cyano-fluoro-methyl)-1H-imidazole-4-carboxylic acid methyl ester
862973-72-6

1-((2R,3R,4R,5R)-3,4-Bis-benzoyloxy-5-benzoyloxymethyl-3-methyl-tetrahydro-furan-2-yl)-5-(cyano-fluoro-methyl)-1H-imidazole-4-carboxylic acid methyl ester

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1.1: HMDS; ammonium sulphate / Heating
1.2: TMSOTf; DBU / 24 h / 0 - 20 °C
2.1: NaH / acetonitrile / 0 °C
2.2: 67 percent / SelectfluorTM / acetonitrile; dimethylformamide / -45 °C
With ammonium sulfate; sodium hydride; 1,1,1,3,3,3-hexamethyl-disilazane; In acetonitrile;
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
56039-06-6

methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

1-((2R,3R,4R,5R)-3,4-Bis-benzoyloxy-5-benzoyloxymethyl-3-methyl-tetrahydro-furan-2-yl)-5-(cyano-difluoro-methyl)-1H-imidazole-4-carboxylic acid methyl ester

1-((2R,3R,4R,5R)-3,4-Bis-benzoyloxy-5-benzoyloxymethyl-3-methyl-tetrahydro-furan-2-yl)-5-(cyano-difluoro-methyl)-1H-imidazole-4-carboxylic acid methyl ester

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1.1: HMDS; ammonium sulphate / Heating
1.2: TMSOTf; DBU / 24 h / 0 - 20 °C
2.1: NaH / acetonitrile / 0 °C
2.2: SelectfluorTM / acetonitrile; dimethylformamide / -45 °C
With ammonium sulfate; sodium hydride; 1,1,1,3,3,3-hexamethyl-disilazane; In acetonitrile;

56039-06-6 Downstream products

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