5-アセチル-1H-ピラゾール-3-カルボン酸
5-アセチル-1H-ピラゾール-3-カルボン酸 物理性質
- 融点 :
- 257-269 °C (decomp)(Solv: ethanol (64-17-5); benzene (71-43-2))
- 沸点 :
- 479.2±30.0 °C(Predicted)
- 比重(密度) :
- 1.467±0.06 g/cm3(Predicted)
- 貯蔵温度 :
- 2-8°C
- 酸解離定数(Pka):
- 3.60±0.10(Predicted)
- InChI:
- InChI=1S/C6H6N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2H,1H3,(H,7,8)(H,10,11)
- InChIKey:
- HFBWRCZRDIVAMQ-UHFFFAOYSA-N
- SMILES:
- N1C(C(C)=O)=CC(C(O)=O)=N1
安全性情報
- リスクと安全性に関する声明
- 危険有害性情報のコード(GHS)
| 絵表示（GHS） |
|
| 注意喚起語 |
警告 |
| 危険有害性情報 |
| コード |
危険有害性情報 |
危険有害性クラス |
区分 |
注意喚起語 |
シンボル |
P コード |
| H302 |
飲み込むと有害 |
急性毒性、経口 |
4 |
警告 |
|
P264, P270, P301+P312, P330, P501 |
| H315 |
皮膚刺激 |
皮膚腐食性/刺激性 |
2 |
警告 |
|
P264, P280, P302+P352, P321,P332+P313, P362 |
| H319 |
強い眼刺激 |
眼に対する重篤な損傷性/眼刺激 性 |
2A |
警告 |
|
P264, P280, P305+P351+P338,P337+P313P |
| H335 |
呼吸器への刺激のおそれ |
特定標的臓器毒性、単回暴露； 気道刺激性 |
3 |
警告 |
|
|
|
| 注意書き |
| P261 |
粉じん/煙/ガス/ミスト/蒸気/スプレーの吸入を避ける こと。 |
| P280 |
保護手袋/保護衣/保護眼鏡/保護面を着用するこ と。 |
| P301+P312 |
飲み込んだ場合：気分が悪い時は医師に連絡する こと。 |
| P302+P352 |
皮膚に付着した場合：多量の水と石鹸で洗うこと。 |
| P305+P351+P338 |
眼に入った場合：水で数分間注意深く洗うこと。次にコ ンタクトレンズを着用していて容易に外せる場合は外す こと。その後も洗浄を続けること。 |
|
5-アセチル-1H-ピラゾール-3-カルボン酸 価格
もっと(4)
| メーカー |
製品番号 |
製品説明 |
CAS番号 |
包装 |
価格 |
更新時間 |
購入 |
|
富士フイルム和光純薬株式会社(wako)
|
W01FLC239365 |
3-Acetyl-1H-pyrazole-5-carboxylic acid |
1297537-45-1 |
1g |
￥319400 |
2021-03-23 |
購入 |
|
富士フイルム和光純薬株式会社(wako)
|
W01FLC506356 |
5-アセチル-1H-ピラゾール-3-カルボン酸
5-ACETYL-1H-PYRAZOLE-3-CARBOXYLIC ACID |
1297537-45-1 |
1g |
￥337300 |
2020-09-21 |
購入 |
|
富士フイルム和光純薬株式会社(wako)
|
W01FLC506356 |
5-アセチル-1H-ピラゾール-3-カルボン酸
5-ACETYL-1H-PYRAZOLE-3-CARBOXYLIC ACID |
1297537-45-1 |
250mg |
￥236300 |
2018-12-26 |
購入 |
|
富士フイルム和光純薬株式会社(wako)
|
W01MAS063858 |
3-Acetyl-1H-pyrazole-5-carboxylic acid |
1297537-45-1 |
500mg |
￥181200 |
2024-03-01 |
購入 |
5-アセチル-1H-ピラゾール-3-カルボン酸 化学特性,用途語,生産方法
定義
5-Acetyl-1H-pyrazole-3-carboxylic acid can be considered a valuable building block for other types of organic and medicinal chemistry transformations and is the essential starting material for the preparation of Darolutamide, which is chemically known as N-{(2S)-1-[3-(3-chloro-4- cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl}-5-(1-hydroxyethyl)-1H-pyrazole-3- 10 carboxamide. Orion Corporation and Bayer Health Care developed Darolutamide. It is an anti-androgen medication that is used for the treatment of prostate cancer in men. Recently, a safe and metal-free process using ethyl glycinate hydrochloride as the starting material has been developed to prepare 5-Acetyl-1H-Pyrazole-3-carboxylic acid[1-2].
合成
5-Acetyl-1H-pyrazole-3-carboxylic acid is a chemical compound that is synthesized from hydrazine and acetyl chloride.
Potassium tert-butoxide (102 g) was added lot-wise to the pre-cooled mixture of 3,3-dimethoxybutane-2-one (100 g) in toluene (1000 ml) at 5-10°C and stirred for 45 minutes. Diethyl oxalate (132 g) was added to the mixture at 10-15°C and stirred for 4 hours. Filtered the solid. To the filtered solid water (3000 ml) was added and cooled to 5-10°C. Solution of Hydrazine monohydrochloride (51.8 g) was slowly added to the mixture at 5-10°C and stirred for 4 hrs. Dichloromethane (1000 ml) was added to the mixture at 5-10°C and stirred for 15 minutes. Allowed to heat the mixture to 25-30°C and stirred for 15 minutes. Filtered the mixture through hyflow. Organic layer was separated from the filtrate. Distilled-off the organic layer and co-distilled in n-heptane (50 ml). n-heptane (300 ml) was added to the mixture at 25-30°C. Heated the mixture at 45-50°C and stirred for 1 hrs. Allowed to cool the mixture to 25-30°C and stirred for 3 hours. Filtered the solid. THF (150 ml) was added to the obtained solid. aq. Sodium hydroxide solution was added to the mixture at 10-15°C. Heated the mixture to 55-60°C and stirred for 2 hrs. Allowed to cool the mixture to 25-30°C and stirred for 15 minutes. Separated the aqueous layer from organic layer. Water was added to the aqueous layer at 25-30°C. Cooled the mixture to 20-25°C. Treated the mixture with hydrochloric acid at 20-25°C. Allowed to heat the mixture to 25-30°C and stirred for 4 hours. Filtered the solid and dried. Tetrahydrofuran (300 ml) was added to the obtained solid at 25-30°C. Heated the mixture to 50-55°C and stirred for 60 minutes. Allowed to cool the mixture to 25-30°C and stirred for 3 hours. Filtered the solid and dried to get 5-Acetyl-1H-pyrazole-3-carboxylic acid, Yield: 63 gm Purity by HPLC: 99.93%.
5-アセチル-1H-ピラゾール-3-カルボン酸 上流と下流の製品情報
原材料
準備製品
5-アセチル-1H-ピラゾール-3-カルボン酸 生産企業
Global( 87)Suppliers
- 1297537-45-1
- 5-ACETYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
- ODM-201 int1
- ODM-201 intermediate 1
- 1H-Pyrazole-3-carboxylic acid, 5-acetyl-
- 5-ACETYL-1H-PYRAZOLE-3-CARBOXYLIC ACID(For export only)
- 5-Acetylpyrazole-3-carboxylic Acid
- 3-Acetyl-1H-pyrazole-5-carboxylic acidQ: What is
3-Acetyl-1H-pyrazole-5-carboxylic acid Q: What is the CAS Number of
3-Acetyl-1H-pyrazole-5-carboxylic acid
- 5-Acetyl-1H-pyrazole-3-carboxylic acic
- 5-アセチル-1H-ピラゾール-3-カルボン酸