1-amino-1-phenyl-propan-2-ol; hydrochloride | 102439-90-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-amino-1-phenyl-propan-2-ol; hydrochloride
• 英文别名: 1-amino-1-phenyl-2-propanol hydrochloride；hydrochloride salt of (1S,2R)-1-amino-1-phenylpropan-2-ol；(2-hydroxy-1-phenylpropyl)azanium;chloride
• CAS: 102439-90-7
• 化学式: C₉H₁₃NO*ClH
• 分子量: 187.669
• InChiKey: VIOJYFJDMKDXOT-UHFFFAOYSA-N

物化性质

• 熔点：
  169-170 °C(Solv: ethanol (64-17-5))

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-amino-1-phenyl-propan-2-ol; hydrochloride 生成 (1R,2R)-1-amino-1-phenylpropan-2-ol
  参考文献：
  名称：

  �ber die Stereoselektivit�t der 9,9?-Spirobifluoren-kronen�ther gegen�ber ?-Aminoalkoholen

  摘要：

  Stereoselectivity of 9,9′‐Spirobifluorene Crown Ethers towards α‐Amino AlcoholsCrown ethers I‐VI were tested by partition experiments for their stereoselectivity towards α‐amino alcohols 1–10. The stereoselectivity depends in a regular way on both the absolute and relative configuration of the crown ether and α‐aminoalcohol. Comments are made on some high stereoselectivities.

  DOI：

  10.1002/hlca.19830660738
• 作为产物：
  描述：

  1-phenylpropan-2-yl 2,2,2-trichloroethanimidate 在 N-碘代丁二酰亚胺 、 盐酸 作用下， 以 1,2-二氯乙烷 、 四氢呋喃 、 水 为溶剂， 反应 8.0h， 以63%的产率得到1-amino-1-phenyl-propan-2-ol; hydrochloride
  参考文献：
  名称：

  自由基介导的烷基亚氨酸分子内β-C（sp 3）–H酰胺化反应：1,2-氨基醇的合成

  摘要：

  报道了一种新的自由基介导的O-烷基三氯或芳基亚氨酸酯的分子内β-C（sp 3）-H酰胺化反应。从容易获得的酒精原料中可以有效地制备出各种恶唑啉。三氯恶唑啉产物可以在温和的条件下水解，得到有价值的1,2-氨基醇。该酰胺化反应具有广泛的底物范围和良好的官能团耐受性，并为醇的C（sp 3）-H官能化提供了强有力的手段。机理研究表明，亚胺基自由基，碘化和环化反应的1，5-HAT序列可能是有效的。

  DOI：

  10.1039/c7cc08897c

文献信息

• Über die Enantiomerentrennung durch Verteilung zwischen flüssigen Phasen. 3. Mitteilung. Selektivität der lipophilen Weinsäureester für chirale Ammonium-Salze verschiedener Konstitution und Konfiguration
  作者：Vladimir Prelog、Stjepan Mutak、Krunoslav Kovačević

  DOI：10.1002/hlca.19830660739

  日期：1983.11.2

  Separation of Enantiomers by Partition between Liquid Phases. 3. Communication. Selectivity of Lipophilic Tartaric Acid Esters for Chiral Ammonium Salts of Different Constitution and Configuration

  通过液相之间的分配分离对映异构体。3.沟通。亲脂性酒石酸酯对不同组成和构型的手性铵盐的选择性
• Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists
  申请人：SmithKline Beecham S.p.A.

  公开号：US20020068827A1

  公开（公告）日：2002-06-06

  A compound of formula (I): 1 or a salt thereof, or a solvate thereof, wherein, Ar is an optionally substituted aryl or a C 5-7 cycloalkdienyl group, or an optionally substituted single or fused ring aromatic heterocyclic group; R is C 1-6 alkyl, C 3-7 cycloalkyl, C 3-7 cycloalkylalkyl, optionally substituted phenyl or phenyl C 1-6 alkyl, an optionally substituted five-membered heteroaromatic ring comprising up to four heteroatoms selected from O and N, hydroxy C 1-6 alkyl, amino C 1-6 alkyl, C 1-6 alkylaminoalkyl, di C 1-6 alkylaminoalkyl, C 1-6 acylaminoalkyl, C 1-6 alkoxyalkyl, C 1-6 alkylcarbonyl, carboxy, C 1-6 alkoxycarbonyl, C 1-6 alkoxycarbonyl C 1-6 alkyl, aminocarbonyl, C 1-6 alkylaminocarbonyl, di C 1-6 alkylaminocarbonyl, halogeno C 1-6 alkyl; or R is a group —(CH 2 ) p — wherein p is 2 or 3 which group forms a ring with a carbon atom of Ar; R 1 represents hydrogen or up to four optional subtitutents selected from the list consisting of: C 1-6 alkyl, C 1-6 alkenyl, aryl, C 1-6 alkoxy, hydroxy, halogen, nitro, cyano, carboxy, carboxamido, sulphonamido, C 1-6 alkoxycarbonyl, trifluoromethyl, acyloxy, phthalimido, amino or mono- and di-C 1-6 alkylamino; R 2 represents hydrogen, C 1-6 -alkyl, hydroxy, halogen, cyano, amino, mono- or di-C 1-6 -alkylamino, alkylsulphonylamino, mono- or di-C 1-6 -alkanoylamino wherein any alkyl group is optionally substituted with an amino group or with a mono- or di-alkylamino group, or R 2 is a moiety —X—(CH 2 ) n —Y wherein X is a bond or —O— and n is an integer in the range of from 1 to 5 providing that when X is —O— n is only an integer from 2 to 5 and Y represents a group NY 1 Y 2 wherein Y 1 and Y 2 are independently selected from hydrogen, C 1-6 -alkyl, C 1-6 -alkenyl, aryl or aryl-C 1-6 -alkyl or Y is hydroxy, halogen or an optionally substituted N-linked single or fused ring, heterocyclic group, R 3 is branched or linear C 1-6 alkyl, C 3-7 cycloalkyl, C 4-7 cycloalkylalkyl, optionally substituted aryl, or an optionally substituted single or fused ring aromatic heterocyclic group; and R 4 represents hydrogen or C 1-6 alkyl; a process for the preparation of such a compound, a pharmaceutical compositon containing such a compound and the use of such a compound or composition in medicine.

  一个式为（I）的化合物： 或其盐，或其溶剂合物，其中，Ar是可选择取代的芳基或C 5-7 环烯烃基团，或可选择取代的单个或融合环芳香杂环基团； R是C 1-6 烷基，C 3-7 环烷基，C 3-7 环烷基烷基，可选择取代的苯基或苯基C 1-6 烷基，可选择取代的含有最多四个来自O和N的杂原子的五元杂芳环，羟基C 1-6 烷基，氨基C 1-6 烷基，C 1-6 烷基氨基烷基，二C 1-6 烷基氨基烷基，C 1-6 酰胺基烷基，C 1-6 烷氧基烷基，C 1-6 烷基羰基，羧基，C 1-6 烷氧羰基，C 1-6 烷氧羰基C 1-6 烷基，氨基羰基，C 1-6 烷基氨基羰基，二C 1-6 烷基氨基羰基，卤代C 1-6 烷基；或R是一个基团—(CH 2 ) p —其中p为2或3，该基团与Ar的一个碳原子形成环； R 1 代表氢或来自以下列表中选择的最多四个可选取代基：C 1-6 烷基，C 1-6 烯基，芳基，C 1-6 烷氧基，羟基，卤素，硝基，氰基，羧基，羧胺基，磺胺基，C 1-6 烷氧羰基，三氟甲基，酰氧基，邻苯二甲酰胺基，氨基或单-和双-C 1-6 烷基氨基； R 2 代表氢，C 1-6 -烷基，羟基，卤素，氰基，氨基，单-或双-C 1-6 -烷基氨基，烷基磺酰氨基，单-或双-C 1-6 -酰胺基，其中任何烷基基团可选择地取代为氨基基团或单-或双-烷基氨基基团，或R 2 是一个基团—X—(CH 2 ) n —Y，其中X是键或—O—，n是在1到5范围内的整数，要求当X为—O—时，n仅为2到5之间的整数，Y代表一个基团NY 1 Y 2 ，其中Y 1 和Y 2 分别选择自氢，C 1-6 -烷基，C 1-6 -烯基，芳基或芳基-C 1-6 -烷基，或Y为羟基，卤素或可选择取代的N-连接的单个或融合环杂环基团， R 3 是支链或直链C 1-6 烷基，C 3-7 环烷基，C 4-7 环烷基烷基，可选择取代的芳基，或可选择取代的单个或融合环芳香杂环基团；和 R 4 代表氢或C 1-6 烷基；一种制备这种化合物的方法，含有这种化合物的药物组合物以及这种化合物或组合物在医学中的用途。
• BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF
  申请人：BARNES David Weninger

  公开号：US20120028969A1

  公开（公告）日：2012-02-02

  The present invention provides compounds of formula (I); or pharmaceutically acceptable salts thereof, wherein the variables are defined as herein. The present invention provides a method for manufacturing the compounds of formula (I), their therapeutic uses, combinations with other of pharmacologically active agents, and a pharmaceutical compositions.

  本发明提供了式(I)的化合物；或其药学上可接受的盐，其中变量如本文所定义。本发明提供了一种制造式(I)化合物的方法，它们的治疗用途，与其他药理活性剂的组合，以及药物组成。
• Copper-Catalyzed Diastereoselective Addition of Diborylmethane to <i>N</i>-<i>tert</i>-Butanesulfinyl Aldimines: Synthesis of β-Aminoboronates
  作者：Jinyoung Park、Yeosan Lee、Junghoon Kim、Seung Hwan Cho

  DOI：10.1021/acs.orglett.6b00376

  日期：2016.3.4

  We have developed a highly chemo- and diastereoselective alkylation of N-tert-butanesulfinyl aldimines with diborylmethane. Whereas the addition of diborylmethane under metal-free conditions shows poor diastereoselectivity, the use of a copper catalyst and a bidentate phosphine ligand significantly enhances the diastereoselectivity, providing chiral β-aminoboronates in good yields. On the basis of

  我们已经开发的高度化疗和立体选择性烷基化ñ -叔-butanesulfinyl亚胺与diborylmethane。在无金属条件下添加二硼烷基甲烷显示出较差的非对映选择性，而铜催化剂和二齿膦配体的使用显着增强了非对映选择性，从而以高收率提供了手性β-氨基硼酸酯。根据立体化学结果，我们建议反应可能通过硼螯合六元椅状过渡态进行。
• Benzolactam compounds as protein kinase inhibitors
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US10457669B2

  公开（公告）日：2019-10-29

  The invention provides a compound of formula (0): or a pharmaceutically acceptable salt, N-oxide or tautomer thereof; wherein: n is 1 or 2; X is CH or N; Y is selected from CH and C—F; Z is selected from C—Rz and N; R1 is selected from: -(Alk1)t-Cyc1; wherein t is 0 or 1; Optionally substituted C1-6 acyclic hydrocarbon groups R2 is selected from hydrogen; halogen; and C1-3 hydrocarbon groups optionally substituted with one or more fluorine atoms; R3 is hydrogen or a group L1-R7; R4 is selected from hydrogen; methoxy; and optionally substituted C1-3 alkyl; and R4a is selected from hydrogen and a C1-3 alkyl group; wherein Rz, Alk1, Cyc1, L1 and R7 are defined herein; provided that the compound is other than 6-benzyl-3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and 3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and salts and tautomers thereof. The compounds are inhibitors of ERK1/2 kinases and will be useful in the treatment of ERK1/2-mediated conditions. The compounds are therefore useful in therapy, in particular in the treatment of cancer.

  本发明提供了一种式 (0) 的化合物： 或其药学上可接受的盐、N-氧化物或同系物；其中 n 是 1 或 2 X 是 CH 或 N Y 选自 CH 和 C-F Z 选自 C-Rz 和 N； R1 选自 -(Alk1)t-Cyc1；其中 t 为 0 或 1； 任选取代的 C1-6 无环烃基团 R2 选自氢、卤素和任选被一个或多个氟原子取代的 C1-3 烃基； R3 是氢或基团 L1-R7； R4 选自氢、甲氧基和任选被取代的 C1-3 烷基；以及 R4a 选自氢和 C1-3 烷基； 其中 Rz、Alk1、Cyc1、L1 和 R7 在本文中定义； 只要该化合物不是 6-苄基-3-2-[(2-甲基嘧啶-4-基)氨基]吡啶-4-基}-7,8-二氢-1,6-萘啶-5(6H)-酮和 3-2-[(2-甲基嘧啶-4-基)氨基]吡啶-4-基}-7,8-二氢-1,6-萘啶-5(6H)-酮及其盐和它们的同系物。 这些化合物是 ERK1/2 激酶的抑制剂，可用于治疗 ERK1/2 介导的疾病。因此，这些化合物可用于治疗，特别是治疗癌症。