(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン

(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン 化学構造式
376608-71-8
CAS番号.
376608-71-8
化学名:
(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン
别名:
(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン
英語名:
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate
英語别名:
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(1R,2S)-2-(3,4-difluorophenyl)cyclopropanaMine (R)-2-hydroxy-2-phenylacetate;(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate;(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine (R)-2-hydroxy-2-phenylacetate;(1R,2R)-2-(3,4-difluorophenyl)cyclopropanamine(S)-(carboxylato(phenyl)methyl)holmium;(1R 2S)-2-(3 4- DIFLUOROPHENYL) CYCLOP ROPANAMINIUM (2R)- HYDROXY(PHENYL) ETHAN OATE MANDELIC ACID SALT;EX-7182;2S)-2-(3;Ticagrelor int4;)ethanoate, 98%
CBNumber:
CB62535571
化学式:
C17H17F2NO3
分子量:
321.32
MOL File:
376608-71-8.mol

(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン 物理性質

貯蔵温度 :
under inert gas (nitrogen or Argon) at 2–8 °C
溶解性:
DMSO (Slightly), Methanol (Slightly)
外見 :
Solid
色:
White to Off-White
InChI:
InChI=1/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/s3
InChIKey:
GUESUQPLVFMJIT-RUKVIUEPNA-N
SMILES:
[C@H](C1C=CC=CC=1)(O)C(=O)O.N[C@@H]1C[C@H]1C1C=CC(F)=C(F)C=1 |&1:0,12,14,r|
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)
Sフレーズ  24/25
HSコード  29181990
絵表示(GHS) GHS hazard pictograms
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 GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 皮膚刺激 皮膚腐食性/刺激性 2 警告 GHS hazard pictograms 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 GHS hazard pictograms 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 GHS hazard pictograms
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。
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。

(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン 価格 もっと(12)

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) W01COBQD-8082
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate
376608-71-8 5g ¥10000 2024-03-01 購入
富士フイルム和光純薬株式会社(wako) W01COBQD-8082
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate
376608-71-8 1g ¥10000 2024-03-01 購入
富士フイルム和光純薬株式会社(wako) W01FLC450265
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetate
376608-71-8 1g ¥6300 2021-03-23 購入
富士フイルム和光純薬株式会社(wako) W01COBQD-8082
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate
376608-71-8 25g ¥25000 2024-03-01 購入
富士フイルム和光純薬株式会社(wako) W01COBQD-8082
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate
376608-71-8 100g ¥82500 2024-03-01 購入

(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン 化学特性,用途語,生産方法

説明

(1R, 2R)-2-(3, 4-difluorophenyl) cyclopropanamine(S)-(carboxylato(phenyl)methyl) holmium is a useful pharmacological intermediate. It is utilized as an intermediate of trcagrelor, which is a platelet aggregation inhibitor used for prevention of thrombotic events occurring in people with acute coronary syndrome or myocardial infarction.

化学的特性

White to off-white powder

使用

(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine is an intermediate in the preparation of orally active reversible P2Y12 receptor antagonists for the prevention of thrombosis.

合成

1. Trans-(1R,2S)-2-(3,4-difluorophenyl)-1-nitro cyclopropane (215.0 g) was added to the pre-cooled methanolic hydrochloric acid (6.0% to 7% w/w HCl, 4300 ml), followed by cooling the mass to -5 to 0° C. Zinc dust (343.71 g) was added to the resulting mass over a period of 2 to 3 hours while maintaining the temperature at -5 to 0° C. The reaction mass was stirred further for 2 hours at -5 to 0° C. After completion of the reaction, the reaction mass was filtered through a hyflo bed and the bed was washed with methanol (2×215 ml). The main filtrate and washings were combined, followed by distillation under reduced pressure.
2. The resulting residue was dissolved in dichloromethane (1075 ml) and then cooled to 10 to 15° C. 25% Aqueous ammonia solution (1290 ml) was added to the cooled solution while maintaining the temperature at below 30° C. The resulting reaction mass was stirred for 15 minutes, followed the by layer separation. The resulting aqueous layer was extracted with dichloromethane (2×537.5 ml) and then combined with the main dichloromethane layer. The combined dichloromethane layer containing the product was extracted thrice with aqueous hydrochloric acid (645 ml of conc. hydrochloric acid mixed with 1935 ml water, 3×865 ml). The aqueous acidic layer containing the product was combined and washed with dichloromethane (645 ml). Dichloromethane (1075 ml) was added to the acidic aqueous layer, followed by the addition of 25% aqueous ammonia solution (1505 ml) while maintaining the temperature at below 30° C. The resulting reaction mass was extracted with dichloromethane (2×645 ml) and then combined with the main dichloromethane layer. The combined dichloromethane layer containing the product was washed with water (645 ml) and evaporated to dryness under reduced pressure.
3. The resulting residue was dissolved in methanol (430 ml), followed slow addition of (R)-(-)-mandelic acid solution (107.5 g in 645 ml methanol) over a period of 40 to 60 minutes while maintaining temperature at 20 to 25° C. The resulting slurry was stirred further for 12 hours at 20 to 25° C., followed by further cooling to 0 to 5° C. The cooled solution was stirred for 2 hours and the solid was isolated by filtration. The resulting solid was washed with chilled methanol (215 ml). The solid was dried under reduced pressure at 40 to 45° C. to obtain 127 g of pure (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate as a white solid.

参考文献

http://www.tradekorea.com/product/detail/P483269/Ticagrelor-intermediates---CAS-376608-71-8.html
https://en.wikipedia.org/wiki/Ticagrelor

(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン 上流と下流の製品情報

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(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン 生産企業

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(2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン  スペクトルデータ(1HNMR)


376608-71-8((2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン)キーワード:

チカグレロル (2R,3R,4S,5R)-2,3,4,5-テトラヒドロキシヘキサン二酸2-(((3AR,4S,6R,6AS)-6-アミノ-2,2-ジメチルテトラヒドロ-3AH-シクロペンタ[D]-[1,3]ジオキソール-4-イル)オキシ)エタノール 5-アミノ-4,6-ジクロロ-2-(プロピルチオ)ピリミジン 4,6-ジクロロ-5-ニトロ-2-(プロピルチオ)ピリミジン (3AR,4S,6R,6AS)-6-アミノ-2,2-ジメチルテトラヒドロ-3AH-シクロペンタ[D][1,3]ジオキソール-4-オール 2-[[(3AR,4S,6R,6AS)-6-アミノテトラヒドロ-2,2-ジメチル-4H-シクロペンタ-1,3-ジオキソール-4-イル]オキシ]エタノール (1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン塩酸塩 (1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン (1R,3S,4S)-2-TERT-ブチル-3-(6-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1H-ベンゾ[D]イミダゾール-2-イル)-2-アザビシクロ[2.2.1]ヘプタン-2-カルボン酸 (S)‐1‐[(R)‐2‐(ジ‐TERT‐ブチルホスフィノ)フェロセニル]エチルジ(2‐メチルフェニル)ホスフィン (1R,2R)-(-)-1,2-シクロヘキサンジアミン (1R,3S,4S)-N-BOC-2-アザビシクロ[2.2.1]ヘプタン-3-カルボン酸 (1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン塩酸塩 2-(プロピルチオ)-4,6-ジクロロピリミジン (1S,2R)-2-(3,4-ジフルオロフェニル)-シクロプロパンアミン trans-3,4-ジフルオロけい皮酸 3-(3,4-ジフルオロフェニル)アクリル酸(E)-メチル (2R,3R)-2,3-ジヒドロキシこはく酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン

  • 376608-71-8
  • (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaMine (2R)-Hydroxy(phenyl)ethanoate
  • (αR)-α-Hydroxybenzeneacetic Acid coMpd. with (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaMine
  • trans-(1R,2S)-2-(2,3-difluorophenyl)cyclopropylaMine Mandelat
  • (alphaR)-alpha-Hydroxybenzeneacetic acid compd. with (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine
  • (αR)-(1R,2S)-α-hydroxy-Benzeneacetic acid-coMpd.with 2-(3,4-difluorophenyl)cyclopropanaMine(1:1)
  • Ticagrelor InterMediate 4
  • (1R,2S)-2-(3,4-Difluorophenyl) cyclopropylamine D-Mandelate
  • (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium
  • (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate
  • Ticagrelor Intermediate3
  • (1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine (R)-2-hydroxy-2-phenylacetate
  • Benzeneacetic acid, α-hydroxy-, (αR)-(1R,2S)-coMpd. with 2-(3,4-difluorophenyl)cyclopropanaMine (1:1)
  • (1R,2S)-2-(3,4-difluorophenyl)cyclopropanaMine (R)-2-hydroxy-2-phenylacetate(1:1)
  • (1R,2S)-2-(3,4-difluorophenyl)cyclopropanaMine with (R)-(-)-Mandelic acid (1:1)
  • Benzeneaceticacid,a-hydroxy-,(R)-(1R,2S)-coMpd.with2-(3,4-difluorophenyl)cyclopropanaMine(1:1)
  • (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaMiniuM(2R)-hydroxy(phenyl)
  • (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaMiniuM (2
  • (1R,2S)-2-(3,4-difluorophenyl)cyclopropanaMine (S)-2-hydroxy-2-phenylacetate
  • (1R,2S)-2-(3,4-dimethylphenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetate
  • (1R,2S)-2-(3,4-Difluorophenyl) cyclopropanaminium (2R)-hydroxy(phenyl)ethanoat
  • Trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropylamine mandelate
  • (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetic acid
  • (1S,2R)-2-(3,4- difluorophenyl)cyclopropan-1-amine hydrochloride
  • EX-7182
  • (1R-2R)-2-(3,4-diflrorophenyl)cyclopropanamine
  • (aR)-a-Hydroxy-benzeneacetic acid compd. with (1R,2S)-2-(3,4-difluorophenyl) cyclopropanamine (1:1)
  • (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate 376608-71-8
  • (1R 2S)-2-(3 4-DIFUOROPHENYL)CYCLOPROPAN AMINIUM(2R)-HYDROXY(PHENYL)ETHANOATE
  • Ticagrelor int4
  • (1R,2S)-2-(3,4-Difluorophenyl)cyclopropan-1-ammonium (2R)-2-hydroxy-2-phenylacetate
  • (2R)-ヒドロキシ(フェニル)エタン酸(1R,2S)-2-(3,4-ジフルオロフェニル)シクロプロパンアミン
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