(R)-3-异丙基氨基-1,2-丙二醇 | 97988-45-9

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (R)-3-异丙基氨基-1,2-丙二醇
• 英文名称: (R)-3-isopropylamino-1,2-propanediol
• 英文别名: (2R)-3-(propan-2-ylamino)propane-1,2-diol
• CAS: 97988-45-9
• 化学式: C₆H₁₅NO₂
• 分子量: 133.191
• InChiKey: YKBZGEJJKPNRSI-ZCFIWIBFSA-N

物化性质

• 沸点：
  106-110 °C(Press: 3 Torr)
• 密度：
  1.007±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2922199090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (R)-3-Isopropylamino-1,2-propanediol
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: (R)-3-Isopropylamino-1,2-propanediol
CAS number: 97988-45-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H15NO2
Molecular weight: 133.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (R)-3-异丙基氨基-1,2-丙二醇 在 氯化亚砜 、 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 (R)-3-异丙基氨基-1,2-环氧丙烷
  参考文献：
  名称：

  Biological resolution of racemic 2-oxazolidinones. Part VI. Stereochemical inversion of (R)-5-hydroxymethyl-3-tert-butyl-2-oxazolidinone or (R)-5-hydroxymethyl-3-isopropyl-2-oxazolidinone to the corresponding (S)-isomer.

  摘要：

  (R)-5-羟甲基-3-叔丁基-2-恶唑烷酮（1a）或(R)-5-羟甲基-3-异丙基-2-恶唑烷酮（1b）的立体化学反转，通过关键中间体(R)-3-N-乙氧羰基-N-叔丁基氨基-1,2-环氧丙烷（5a）或(R)-3-N-乙氧羰基-N-异丙基氨基-1,2-环氧丙烷（5b），以高对映体过量成功转化为相应的(S)-异构体。因此，分别从相应的(R)-异构体（1a；99% e.e.，1b；95% e.e.）得到了(S)-1a（99% e.e.）或(S)-1b（97% e.e.）。

  DOI：

  10.1271/bbb1961.49.1669
• 作为产物：
  描述：

  (5R)-5-(羟基甲基)-3-异丙基-1,3-恶唑烷-2-酮 在 sodium hydroxide 、 水 作用下， 反应 3.0h， 以69%的产率得到(R)-3-异丙基氨基-1,2-丙二醇
  参考文献：
  名称：

  Biological resolution of racemic 2-oxazolidinones. Part VI. Stereochemical inversion of (R)-5-hydroxymethyl-3-tert-butyl-2-oxazolidinone or (R)-5-hydroxymethyl-3-isopropyl-2-oxazolidinone to the corresponding (S)-isomer.

  摘要：

  (R)-5-羟甲基-3-叔丁基-2-恶唑烷酮（1a）或(R)-5-羟甲基-3-异丙基-2-恶唑烷酮（1b）的立体化学反转，通过关键中间体(R)-3-N-乙氧羰基-N-叔丁基氨基-1,2-环氧丙烷（5a）或(R)-3-N-乙氧羰基-N-异丙基氨基-1,2-环氧丙烷（5b），以高对映体过量成功转化为相应的(S)-异构体。因此，分别从相应的(R)-异构体（1a；99% e.e.，1b；95% e.e.）得到了(S)-1a（99% e.e.）或(S)-1b（97% e.e.）。

  DOI：

  10.1271/bbb1961.49.1669

文献信息

• Carbamate compounds
  申请人：Fu Hong

  公开号：US20080214617A1

  公开（公告）日：2008-09-04

  Carbamate compounds having a structure represented by formula I (where R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined herein) are useful as anti-tumor agents.

  具有由公式I表示的结构的氨基甲酸酯化合物（其中R1，R2，R3，R4，R5和R6如本文所定义）可用作抗肿瘤剂。
• PYRROLOTRIAZINE KINASE INHIBITORS
  申请人：Fink E. Brian

  公开号：US20080045496A1

  公开（公告）日：2008-02-21

  The present invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity of such as TrkA, TrkB, TrkC, Jak2, Jak3 and CK2, thereby making them useful as antiproliferative agents for the treatment of cancer and other diseases.

  本发明提供了公式I的化合物以及药用可接受的盐类。公式I的化合物可以抑制诸如TrkA、TrkB、TrkC、Jak2、Jak3和CK2的酪氨酸激酶活性，从而使其作为抗增殖剂用于治疗癌症和其他疾病的有用性。
• Cinnoline compounds
  申请人：——

  公开号：US20030212055A1

  公开（公告）日：2003-11-13

  The invention relatest to compounds of the formula (I) wherein either any one of G 1 , G 2 , G 3 , G 4 and G 5 is nitrogen and the other four are —CH—, or G 1 , G 2 , G 3 , G 4 and G 5 are all —CH—; Z is —O—, —NH—, —S—, —CH 2 — or a direct bond; Z is linked to any one of G 1 , G 2 , G 3 and G 4 which is a free carbon atom; n is an integer from 0 to 5; any of the substitutents R 1 may be attached at any free carbon atom of the indole, azaindole or indazole group; m is an integer from 0 to 3; R a represents hydrogen; R b represents hydrogen or another value as defined herein; R 1 represents hydrogen, oxo, hydroxy, halogeno, C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkoxy, C 1-4 -alkyl, aminoC 1-4 alkyl, C 1-3 alkylaminoC 1-4 alkyl, di(C 1-3 alkyl)aminoC 1-4 alkyl, —C 1-5 alkyl(ring B) wherein ring B is selected from azetidinyl, pyrrolidinyl, piperidinyl, piperazinyl, N-methylpiperazinly, N-ethylpiperazinyl, morpholino and thiomorpholino; R 2 represents hydrogen, hydroxy, halogeno, cyano, nitro, trifluoromethyl, C 1-3 alkyl, C 1-3 alkoxy, C 1-3 aklylsulphanyl, —NR 3 R 4 (wherein R 3 and R 4 , which may be the same or different, each represents hydrogen or C 1-3 alkyl), or R 5 X 1 — (wherein R 5 and X 1 are as defined herein) and salts thereof, processes for the preparation of such compounds, pharmaceutical compositions containing a compound of formula I or a pharmaceutically acceptable salt thereof as active ingredient and the use of a compound of formula I in the manufacture of medicament for the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals. The compounds of formula I and the pharmaceutically acceptable salts thereof inhibit the effects of VEGF, a property of value in the treatment of a number of disease states including cancer and rheumatoid arthritis.

  该发明涉及以下式(I)的化合物，其中G1、G2、G3、G4和G5中的任何一个是氮，其他四个是—CH—，或者G1、G2、G3、G4和G5都是—CH—；Z是—O—、—NH—、—S—、—CH2—或直接键；Z与G1、G2、G3和G4中的任何一个自由碳原子相连；n是从0到5的整数；R1的任何取代基可能连接到吲哚、氮杂吲哚或吲唑基团的任何自由碳原子；m是从0到3的整数；Ra代表氢；Rb代表氢或本文中定义的另一个值；R1代表氢、氧代、羟基、卤代、C1-4烷基、C1-4烷氧基、C1-4烷氧基、C1-4烷基、氨基C1-4烷基、C1-3烷基氨基C1-4烷基、二(C1-3烷基)氨基C1-4烷基、—C1-5烷基(环B)，其中环B选自氮杂环丙烷基、吡咯烷基、哌啶基、哌嗪基、N-甲基哌嗪基、N-乙基哌嗪基、吗啉和硫代吗啉；R2代表氢、羟基、卤代、氰基、硝基、三氟甲基、C1-3烷基、C1-3烷氧基、C1-3烷基硫基、—NR3R4(其中R3和R4，可能相同也可能不同，各自代表氢或C1-3烷基)，或R5X1—(其中R5和X1如本文所定义)及其盐，制备这类化合物的方法，含有式I的化合物或其药学上可接受的盐作为活性成分的药物组合物，以及利用式I的化合物制备药物，用于在温血动物中产生抗血管生成和/或血管通透性降低作用。式I的化合物及其药学上可接受的盐抑制VEGF的作用，这是治疗多种疾病状态的有价值特性，包括癌症和类风湿性关节炎。
• Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives
  申请人：Sugen. Inc.

  公开号：US20030100555A1

  公开（公告）日：2003-05-29

  The present invention relates to pyrrole substituted 2-indolinone compounds and their pharmaceutically acceptable salts which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及吡咯替代的2-吲哚酮化合物及其药学上可接受的盐，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• Quinoline derivatives having vegf inhibiting activity
  申请人：——

  公开号：US20030199491A1

  公开（公告）日：2003-10-23

  The invention relates to compounds of formula (I) wherein: either any one of G 1 , G 2 , G 3 , G 4 and G 5 is nitrogen and the other four are —CH—, or G 1 , G 2 , G 3 , G 4 and G 5 are all —CH—; Z is —O—, —NH—, —S—, —CH 2 — or a direct bond; Z is linked to any one of G 1 , G 2 , G 3 and G 4 ; n is an integer from 0 to 5; m is an integer from 0 to 3; R a represents hydrogen or fluoro; R b , R 1 and R 2 are defined herein and salt thereof, process for the preparation so such compounds, pharmaceutical compositions containing a compound of formula I or a pharmaceutically acceptable salt thereof as active ingredient and the use of a compound of formula I in the manufacture of a medicament for the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blodded animals. The compounds of formula I and the pharmaceutically acceptable salts thereof inhibit the effects of VEGF, a property of value in the treatment of a number of diseases states including cancer and rheumatoid arthritis.

  该发明涉及以下式（I）的化合物：其中：G1、G2、G3、G4和G5中的任意一个是氮，其他四个是—CH—，或者G1、G2、G3、G4和G5都是—CH—；Z是—O—、—NH—、—S—、—CH2—或直接键；Z与G1、G2、G3和G4中的任意一个相连；n是从0到5的整数；m是从0到3的整数；R代表氢或氟；Rb、R1和R2在此处定义，并且其盐，制备这种化合物的方法，含有式I的化合物或其药学上可接受的盐作为活性成分的药物组合物，以及利用式I的化合物制造用于在温血动物中产生抗血管生成和/或血管通透性降低作用的药物的用途。式I的化合物及其药学上可接受的盐抑制VEGF的作用，这是治疗多种疾病状态的有价值的特性，包括癌症和类风湿性关节炎。