1-Boc-3-[(二甲氨基)甲基]-7-氮杂吲哚 | 144657-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 1-Boc-3-[(二甲氨基)甲基]-7-氮杂吲哚
• 中文别名: 1-Boc-3-[(二甲基氨基)甲基]-7-氮杂吲哚
• 英文名称: 1-tert-butyloxycarbonyl-3-(N-dimethylaminomethyl)-7-azaindole
• 英文别名: 3-dimethylaminomethyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester；1-Boc-3-[(dimethylamino)methyl]-7-azaindole；tert-butyl 3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate
• CAS: 144657-65-8
• 化学式: C₁₅H₂₁N₃O₂
• 分子量: 275.351
• InChiKey: ZNJZRJCULHGHCM-UHFFFAOYSA-N

物化性质

• 熔点：
  97-101 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  T
• 安全说明：
  S26
• 危险类别码：
  R25
• WGK Germany：
  3
• 危险标志：
  GHS06
• 危险品运输编号：
  UN 2811 6.1/PG 3
• 危险性描述：
  H301,H315,H319,H335
• 危险性防范说明：
  P261,P301 + P310,P305 + P351 + P338

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product name : 1-Boc-3-[(dimethylamino)methyl]-7-azaindole

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
According to Regulation (EC) No1272/2008
Acute toxicity, Oral (Category 3)
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
According to European Directive 67/548/EEC as amended.
Toxic if swallowed. Irritating to eyes, respiratory system and skin.
Label elements
Pictogram
Signal word Danger
Hazard statement(s)
H301 Toxic if swallowed.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P301 + P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Hazard symbol(s)
T Toxic
R-phrase(s)
R25 Toxic if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Synonyms : 1-tert-Butoxycarbonyl-3-[(dimethylamino)methyl]-7-azaindole
3-Dimethylaminomethyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl
ester
Formula : C15H21N3O2
Molecular Weight : 275,35 g/mol
CAS-No. EC-No. Index-No. Classification Concentration
1-Boc-3-[(Dimethylamino)methyl]-7-azaindole
144657-65-8 - - Acute Tox. 3; Skin Irrit. 2; Eye -
Irrit. 2; STOT SE 3; H301,
H315, H319, H335
T, R25 - R36/37/38
For the full text of the H-Statements mentioned in this Section, see Section 16.

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Section 4. FIRST AID MEASURES
General advice
Consult 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. Take victim immediately to hospital. 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.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special protective equipment for fire-fighters
Wear self contained breathing apparatus for fire fighting if necessary.

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
protection.
Conditions for safe storage
Keep container tightly closed in a dry and well-ventilated place. Store in cool place.

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Personal protective equipment
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle respirator
type N99 (US) or type P2 (EN 143) respirator cartridges as a backup to engineering controls. If the
respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and
components tested and approved under appropriate government standards such as NIOSH (US) or CEN
(EU).
Hand protection
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.
Eye protection
Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate
government standards such as NIOSH (US) or EN 166(EU).
Skin and body protection
Complete suit protecting against chemicals, The type of protective equipment must be selected according
to the concentration and amount of the dangerous substance at the specific workplace.
Hygiene measures
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the
product.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Appearance
Form powder
Colour beige
Safety data
pH no data available
Melting point 97 - 101 °C
Boiling point no data available
Flash point no data available
Ignition temperature no data available
Lower explosion limit no data available
Upper explosion limit no data available
Water solubility no data available
Partition coefficient: log Pow: 2,676
n-octanol/water

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Section 10. STABILITY AND REACTIVITY
Chemical stability
Stable under recommended storage conditions.
Conditions to avoid
no data available
Materials to avoid
Strong oxidizing agents
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx)

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Section 11. TOXICOLOGICAL INFORMATION
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals.
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion Toxic if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes
Causes serious eye irritation.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional
waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent
and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
ADR/RID
UN-Number: 2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLID, ORGANIC, N.O.S. (1-Boc-3-[(Dimethylamino)methyl]-7-azaindole)
IMDG
UN-Number: 2811 Class: 6.1 Packing group: III EMS-No: F-A, S-A
Proper shipping name: TOXIC SOLID, ORGANIC, N.O.S. (1-Boc-3-[(Dimethylamino)methyl]-7-azaindole)
Marine pollutant: No
IATA
UN-Number: 2811 Class: 6.1 Packing group: III
Proper shipping name: Toxic solid, organic, n.o.s. (1-Boc-3-[(Dimethylamino)methyl]-7-azaindole)

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.

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Section 16. OTHER INFORMATION
Text of H-code(s) and R-phrase(s) mentioned in Section 3
Acute Tox. Acute toxicity
Eye Irrit. Eye irritation
H301 Toxic if swallowed.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Skin Irrit. Skin irritation
T Toxic
R25 Toxic if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
Further information
Copyright 2010 Co. License granted to make unlimited paper copies for internal use only.
The above information is believed to be correct but does not purport to be all inclusive and shall be used
only as a guide. The information in this document is based on the present state of our knowledge and is
applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee
of the properties of the product. Co., shall not be held liable for any damage resulting from
handling or from contact with the above product. See reverse side of invoice or packing slip for additional
terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  1-Boc-3-[(二甲氨基)甲基]-7-氮杂吲哚 在 4-二甲氨基吡啶 、 palladium 10% on activated carbon 盐酸 、 氢气 、 sodium hydride 、 三乙胺 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 6.0h， 生成 1-(2-methoxy-5-chlorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indol-4-yl]urea hydrochloride
  参考文献：
  名称：

  [EN] 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS
  [FR] COMPOSÉS D'URÉE CONTENANT UN GROUPE HÉTÉROARYLE 5,6-BICYCLIQUE

  摘要：

  本发明提供了Formula I或II中含有5,6-双环杂芳基脲化合物，并将其用于治疗由蛋白激酶介导的疾病，如VEGFR2、c-Met、PDGFRβ、c-Kit、CSFlR或EphA2。

  公开号：

  WO2011023081A1
• 作为产物：
  描述：

  7-氮杂吲哚 在 4-二甲氨基吡啶 三乙胺 作用下， 以 二氯甲烷 、 水 、 异丙醇 为溶剂， 生成 1-Boc-3-[(二甲氨基)甲基]-7-氮杂吲哚
  参考文献：
  名称：

  [EN] 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS
  [FR] COMPOSÉS D'URÉE CONTENANT UN GROUPE HÉTÉROARYLE 5,6-BICYCLIQUE

  摘要：

  本发明提供了Formula I或II中含有5,6-双环杂芳基脲化合物，并将其用于治疗由蛋白激酶介导的疾病，如VEGFR2、c-Met、PDGFRβ、c-Kit、CSFlR或EphA2。

  公开号：

  WO2011023081A1

文献信息

• Compounds modulating c-fms and/or c-kit activity and uses therefor
  申请人：Zhang Jiazhong

  公开号：US20090076046A1

  公开（公告）日：2009-03-19

  Compounds active on the receptor protein tyrosine kinases c-kit and/or c-fms are provided herewith. Also provided herewith are compositions useful for treatment of c-kit mediated diseases or conditions and/or c-fms-mediated diseases or conditions, and methods for the use thereof.

  提供了对受体蛋白酪氨酸激酶c-kit和/或c-fms活性的化合物。还提供了用于治疗c-kit介导的疾病或病状和/或c-fms介导的疾病或病状的组合物，以及使用它们的方法。
• Compounds modulating c-kit and c-fms activity and uses therefor
  申请人：Zhang Chao

  公开号：US20070032519A1

  公开（公告）日：2007-02-08

  Compounds active on the receptor protein tyrosine kinases c-kit and c-fms are provided herewith. Also provided herewith are compositions useful for treatment of c-kit mediated diseases or condition and c-fms-mediated diseases or condition, and methods for the use thereof.

  本文提供了对受体蛋白酪氨酸激酶c-kit和c-fms活性的化合物。本文还提供了用于治疗c-kit介导的疾病或病况以及c-fms介导的疾病或病况的组合物，以及其使用方法。
• COMPOUNDS MODULATING C-KIT AND C-FMS ACTIVITY AND USES THEREFOR
  申请人：Zhang Chao

  公开号：US20110166174A1

  公开（公告）日：2011-07-07

  Compounds active on the receptor protein tyrosine kinases c-kit and c-fms are provided herewith. Also provided herewith are compositions useful for treatment of c-kit mediated diseases or condition and c-fms-mediated diseases or condition, and methods for the use thereof.

  本文提供了对受体蛋白酪氨酸激酶c-kit和c-fms活性的化合物。本文还提供了用于治疗c-kit介导的疾病或状况和c-fms介导的疾病或状况的组合物，以及使用方法。
• COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY
  申请人：Zhang Jiazhong

  公开号：US20110230482A1

  公开（公告）日：2011-09-22

  Compounds active on the receptor protein tyrosine kinases c-kit and/or c-fms are provided herewith. Also provided herewith are compositions useful for treatment of c-kit mediated diseases or conditions and/or c-fms-mediated diseases or conditions, and methods for the use thereof.

  本文提供了对受体蛋白酪氨酸激酶c-kit和/或c-fms活性化合物。还提供了用于治疗c-kit介导的疾病或状况和/或c-fms介导的疾病或状况的组合物，以及其使用方法。
• COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR
  申请人：Zhang Jiazhong

  公开号：US20120309756A1

  公开（公告）日：2012-12-06

  Compounds active on the receptor protein tyrosine kinases c-kit and/or c-fms are provided herewith. Also provided herewith are compositions useful for treatment of c-kit mediated diseases or conditions and/or c-fms-mediated diseases or conditions, and methods for the use thereof.

  本文提供了在受体蛋白酪氨酸激酶c-kit和/或c-fms上活性化合物。还提供了用于治疗c-kit介导的疾病或状况和/或c-fms介导的疾病或状况的组合物，并提供了其使用方法。