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Cas Database

1000167-13-4

1000167-13-4

Identification

  • Product Name:methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

  • CAS Number: 1000167-13-4

  • EINECS:

  • Molecular Weight:232.239

  • Molecular Formula: C12H12N2O3

  • HS Code:

  • Mol File:1000167-13-4.mol

Synonyms:methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

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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

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Relevant articles and documentsAll total 2 Articles be found

A convergent synthesis of 1,3,4-oxadiazoles from acyl hydrazides under semiaqueous conditions

Tokumaru, Kazuyuki,Johnston, Jeffrey N.

, p. 3187 - 3191 (2017/04/04)

The 1,3,4-oxadiazole is an aromatic heterocycle valued for its low-lipophilicity in drug development. Substituents at the 2- and/or 5-positions can modulate the heterocycle's electronic and hydrogen bond-accepting capability, while exploiting its use as a carbonyl bioisostere. A new approach to 1,3,4-oxadiazoles is described wherein α-bromo nitroalkanes are coupled to acyl hydrazides to deliver the 2,5-disubstituted oxadiazole directly, avoiding a 1,2-diacyl hydrazide intermediate. Access to new building blocks of oxadiazole-substituted secondary amines is improved by leveraging chiral α-bromo nitroalkane or amino acid hydrazide substrates. The non-dehydrative conditions for oxadiazole synthesis are particularly notable, in contrast to alternatives reliant on highly oxophilic reagents to effect cyclization of unsymmetrical 1,2-diacyl hydrazides. The mild conditions are punctuated by the straightforward removal of co-products by a standard aqueous wash.

PURINONE DERIVATIVES AS HM74A AGONISTS

-

Page/Page column 70, (2008/06/13)

The present invention relates to purinone derivatives which are agonists of the HM74a receptor. Further provided are compositions and methods of using the compounds herein, and their pharmaceutically acceptable salts for the treatment of disease.

Process route upstream and downstream products

Process route

methyl 4-(2-benzoylhydrazino)-4-oxobutanoate
304480-84-0

methyl 4-(2-benzoylhydrazino)-4-oxobutanoate

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
1000167-13-4

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

Conditions
Conditions Yield
With pyridine; thionyl chloride; In tetrahydrofuran; toluene; at 20 ℃; for 3h; Heating / reflux;
72%
4-bromo-4-nitro-butyric acid methyl ester

4-bromo-4-nitro-butyric acid methyl ester

benzoic acid hydrazide
613-94-5

benzoic acid hydrazide

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
1000167-13-4

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

Conditions
Conditions Yield
With urea hydrogen peroxide adduct; potassium carbonate; potassium iodide; In 1,2-dimethoxyethane; water; at 20 ℃; for 2h;
60%
methyl 4-(2-benzoylhydrazino)-4-oxobutanoate
304480-84-0

methyl 4-(2-benzoylhydrazino)-4-oxobutanoate

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
1000167-13-4

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

Conditions
Conditions Yield
With pyridine; thionyl chloride; In tetrahydrofuran; toluene; at 20 ℃; for 3h; Heating / reflux;
72%
4-bromo-4-nitro-butyric acid methyl ester

4-bromo-4-nitro-butyric acid methyl ester

benzoic acid hydrazide
613-94-5

benzoic acid hydrazide

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
1000167-13-4

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

Conditions
Conditions Yield
With urea hydrogen peroxide adduct; potassium carbonate; potassium iodide; In 1,2-dimethoxyethane; water; at 20 ℃; for 2h;
60%

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