N-丙基酞酰亚胺 | 5323-50-2
中文名称
N-丙基酞酰亚胺
中文别名
N-丙基邻苯二甲酰亚胺；N-N-丙基邻苯二甲酰亚胺
英文名称
N-propylphthalimide
英文别名
2-propylisoindoline-1,3-dione；2-propylisoindole-1,3-dione
CAS
5323-50-2
化学式
C11H11NO2
mdl
MFCD00014584
分子量
189.214
InChiKey
RLARUBPTQYKZKA-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
- 物化性质
- 计算性质
- ADMET
- 安全信息
- SDS
- 制备方法与用途
- 上下游信息
- 文献信息
- 表征谱图
- 同类化合物
- 相关功能分类
- 相关结构分类
物化性质
- 熔点：151-152 °C
- 沸点：110-114 °C(Press: 0.8 Torr)
- 密度：1?+-.0.06 g/cm3(Predicted)
- 稳定性/保质期：在常温常压下保持稳定。
计算性质
- 辛醇/水分配系数(LogP)：2.4
- 重原子数：14
- 可旋转键数：2
- 环数：2.0
- sp3杂化的碳原子比例：0.272
- 拓扑面积：37.4
- 氢给体数：0
- 氢受体数：2
安全信息
- 安全说明：S22,S24/25
- 海关编码：2925190090
- 危险性防范说明：P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
- 危险性描述：H315,H319,H335
- 储存条件：请将药品存放在避光、阴凉干燥的地方，并密封保存。
SDS
Version 1.2
Regulation (EC) No 1907/2006
1 - Product and Company Information
Product Name N-PROPYLPHTHALIMIDE, 98%
2 - Hazards Identification
SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Irritating to eyes, respiratory system and skin.
3 - Composition/Information on Ingredients
Product Name CAS # EC no Annex I
Index Number
N-PROPYLPHTHALIMIDE, 98% 5323-50-2 226-189-1 None
Formula C11H11NO2
Molecular Weight 189,2100 AMU
Synonyms 1H-Isoindole-1,3(2H)-dione, 2-propyl- *
1-(N-Phthalimidyl)propane * N-Propylphthalimide
* N-(n-Propyl)phthalimide
4 - First Aid Measures
AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact, immediately flush eyes with copious amounts
of water for at least 15 minutes.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
5 - Fire Fighting Measures
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EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
6 - Accidental Release Measures
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.
7 - Handling and Storage
HANDLING
Directions for Safe Handling: Do not breathe dust. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep container closed. Store in a cool
dry place.
8 - Exposure Controls / Personal Protection
ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Special Protective Measures: Wear appropriate government approved
respirator, chemical-resistant gloves, safety goggles, other
protective clothing.
9 - Physical and Chemical Properties
pH N/A
BP/BP Range 282,000. - 283,000 °756,000 mmHg
C.
MP/MP Range 64,000. - 67,000 °C.
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
ALDRICH www.molbase.com
Vapor Pressure N/A
Partition Coefficient N/A
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A
10 - Stability and Reactivity
STABILITY
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides.
11 - Toxicological Information
RTECS NUMBER: TI5636500
SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Inhalation: Material is irritating to mucous membranes and upper
respiratory tract.
Multiple Routes: Causes eye and skin irritation. May be harmful
by inhalation, ingestion, or skin absorption.
12 - Ecological Information
No data available.
13 - Disposal Considerations
SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.
14 - Transport Information
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.
ALDRICH www.molbase.com
15 - Regulatory Information
CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xi
Irritant.
R-PHRASES: 36/37/38
Irritating to eyes, respiratory system and skin.
S-PHRASES: 26-36
In case of contact with eyes, rinse immediately with plenty of
water and seek medical advice. Wear suitable protective
clothing.
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification
16 - Other Information
WARRANTY
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. Inc.,
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.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICH www.molbase.com
SECTION 16 - ADDITIONAL INFORMATION
N/A
Regulation (EC) No 1907/2006
1 - Product and Company Information
Product Name N-PROPYLPHTHALIMIDE, 98%
2 - Hazards Identification
SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Irritating to eyes, respiratory system and skin.
3 - Composition/Information on Ingredients
Product Name CAS # EC no Annex I
Index Number
N-PROPYLPHTHALIMIDE, 98% 5323-50-2 226-189-1 None
Formula C11H11NO2
Molecular Weight 189,2100 AMU
Synonyms 1H-Isoindole-1,3(2H)-dione, 2-propyl- *
1-(N-Phthalimidyl)propane * N-Propylphthalimide
* N-(n-Propyl)phthalimide
4 - First Aid Measures
AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact, immediately flush eyes with copious amounts
of water for at least 15 minutes.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
5 - Fire Fighting Measures
ALDRICH www.molbase.com
EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
6 - Accidental Release Measures
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.
7 - Handling and Storage
HANDLING
Directions for Safe Handling: Do not breathe dust. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep container closed. Store in a cool
dry place.
8 - Exposure Controls / Personal Protection
ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Special Protective Measures: Wear appropriate government approved
respirator, chemical-resistant gloves, safety goggles, other
protective clothing.
9 - Physical and Chemical Properties
pH N/A
BP/BP Range 282,000. - 283,000 °756,000 mmHg
C.
MP/MP Range 64,000. - 67,000 °C.
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
ALDRICH www.molbase.com
Vapor Pressure N/A
Partition Coefficient N/A
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A
10 - Stability and Reactivity
STABILITY
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides.
11 - Toxicological Information
RTECS NUMBER: TI5636500
SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Inhalation: Material is irritating to mucous membranes and upper
respiratory tract.
Multiple Routes: Causes eye and skin irritation. May be harmful
by inhalation, ingestion, or skin absorption.
12 - Ecological Information
No data available.
13 - Disposal Considerations
SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.
14 - Transport Information
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.
ALDRICH www.molbase.com
15 - Regulatory Information
CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xi
Irritant.
R-PHRASES: 36/37/38
Irritating to eyes, respiratory system and skin.
S-PHRASES: 26-36
In case of contact with eyes, rinse immediately with plenty of
water and seek medical advice. Wear suitable protective
clothing.
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification
16 - Other Information
WARRANTY
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. Inc.,
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.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICH www.molbase.com
SECTION 16 - ADDITIONAL INFORMATION
N/A
上下游信息
- 上游原料
中文名称 英文名称 CAS号 化学式 分子量 2-(3-碘丙基)-1H-异吲哚-1,3(2H)-二酮 N-(3-iodopropyl)phthalimide 5457-29-4 C11H10INO2 315.11 N-(3-溴丙基)苯二胺 2-(3-bromopropyl)isoindole-1,3-dione 5460-29-7 C11H10BrNO2 268.11 4-(1,3-二氧代异吲哚啉-2-基)丁酸 4-phthalimidobutyric acid 3130-75-4 C12H11NO4 233.224 4-(1,3-二氧代异吲哚啉-2-基)丁酰氯 4-phthalimidobutyryl chloride 10314-06-4 C12H10ClNO3 251.669 N-丙炔基邻苯二甲酸胺 N-propargylphthalimide 7223-50-9 C11H7NO2 185.182 3-羟基-2-丙基-2,3-二氢异吲哚-1-酮 3-Hydroxy-2-n-propylphthalimidine 33125-70-1 C11H13NO2 191.23 邻苯二甲酸亚胺 phthalimide 85-41-6 C8H5NO2 147.133 聚普瑞锌杂质2 1-carboxy-2-n-propylaminocarbonylbenzene 17332-34-2 C11H13NO3 207.229 N-羟基邻苯二甲酰亚胺 N-hydroxyphthalimide 524-38-9 C8H5NO3 163.133 - 下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 2-(3-fluoropropyl)isoindoline-1,3-dione 252736-26-8 C11H10FNO2 207.204 —— 2-propylisoindolin-1-one 61214-23-1 C11H13NO 175.23 —— N-propyl-4-nitro-phthalimide 98499-71-9 C11H10N2O4 234.211 3-羟基-2-丙基-2,3-二氢异吲哚-1-酮 3-Hydroxy-2-n-propylphthalimidine 33125-70-1 C11H13NO2 191.23 —— 3-phenyl-2-n-propyl-2,3-dihydro-isoindol-1-one —— C17H17NO 251.328 —— 2-propyl-3-p-tolylisoindolin-1-one 1334294-88-0 C18H19NO 265.355 N,N-二苯基酞酰胺 N,N'-dibenzylphthalamide 38228-99-8 C22H20N2O2 344.413 —— 3-(4-methoxyphenyl)-2-propylisoindolin-1-one 1334294-90-4 C18H19NO2 281.354
反应信息
- 作为反应物：描述：参考文献：名称：Propranolol immunogen and antibodies摘要：一种普萘洛尔免疫原，包括一个未取代的羟丙胺前体，通过双咪唑醚连接基团与免疫原载体材料偶联。该免疫原可用于刺激产生识别普萘洛尔的抗体，并可作为试剂在免疫分析中确定普萘洛尔。公开号：US04472301A1
- 作为产物：描述：参考文献：名称：使用D2O作为氘源对未活化的烷基卤进行脱卤氘化。摘要：已经开发出使用D 2 O或H 2 O作为氘或氢供体的锌与烷基卤化物的一般脱卤。该方法在温和的反应条件下为底物范围较宽的氘标记衍生物提供了一种高效经济的方法。机理研究表明，自由基过程涉及有机锌中间体的形成。有机锌中间体的容易水解为该转化提供了驱动力。DOI：10.1021/acs.joc.9b02026
文献信息
- Substituted heterocycle fused gamma-carbolines申请人：——公开号：US20040220178A1公开（公告）日：2004-11-04The present invention is directed to methods of treating addictive behavior and sleep disorders by administering compounds represented by structural Formula (I) 1 or pharmaceutically acceptable salt forms thereof, wherein R 1 , R 5 , R 6a , R 6b , R 7 , R 8 , R 9 , X, b, k, m, and n, and the dashed lines are described herein. The compounds used in the method of treatment of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including addictive behavior and sleep disorders.本发明涉及通过给予由结构式（I）表示的化合物或其药学上可接受的盐形式来治疗成瘾行为和睡眠障碍的方法，其中R1、R5、R6a、R6b、R7、R8、R9、X、b、k、m和n以及虚线如本文所述。本发明治疗方法中使用的化合物是5-羟色胺激动剂和拮抗剂，对于控制或预防包括成瘾行为和睡眠障碍在内的中枢神经系统疾病是有用的。
- Organic Reactions in Ionic liquids: N-Alkylation of Phthalimide and Several Nitrogen Heterocycles作者：Zhen-Chu Chen、Zhang-Gao Le、Yi Hu、Qin-Guo ZhengDOI：10.1055/s-2003-44383日期：——N-Alkylation of heterocyclic compounds bearing an acidic hydrogen atom attached to nitrogen with alkyl halides is accomplished in ionic liquids ([bmim]BF4 = 1-butyl-3-methylimidazolium tetrafluoroborate, [bmim]PF6 = 1-butyl-3-methylimida-zolium hexafluorophosphate, [buPy]BF4 = butylpyridinium tetrafluoroborate) in the presence of potassium hydroxide as a base. In this manner, phthalimide, indole,在离子液体（[bmim]BF4 = 1-丁基-3-甲基咪唑鎓四氟硼酸盐，[bmim]PF6 = 1-丁基-3-甲基咪唑-唑鎓六氟磷酸盐，[buPy]BF4 = 丁基吡啶鎓四氟硼酸盐）在氢氧化钾作为碱的存在下。这样，邻苯二甲酰亚胺、吲哚、苯并咪唑、琥珀酰亚胺可以成功烷基化。该程序方便、有效，并且通常只提供 N-烷基化产物。
- 一种卤化物氢解的方法申请人：中国科学院上海有机化学研究所公开号：CN112142544A公开（公告）日：2020-12-29本发明公开了一种卤化物氢解的方法。本发明公开了一种如式I所示的化合物的制备方法，其包括以下步骤：在极性非质子型溶剂中，将锌、H2O与如式II所示的化合物进行如下所示的反应即可；其中，X为卤素；Y为‑CHR1R2或R3；所述的H2O中的氢以其天然丰度或非天然丰度的形式存在。该制备方法可以以简单温和的反应体系，简捷高效地实现卤化物氢解，而且还具有良好的官能团兼容性和底物普适性。
- ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF申请人：Arigon Jérôme公开号：US20120094986A1公开（公告）日：2012-04-19The invention relates to nicotinamide derivatives which can be used as anticancer drugs.这项发明涉及可用作抗癌药物的烟酰胺衍生物。
- Spiro derivatives as lipoxygenase inhibitors申请人：Chu T.W. Daniel公开号：US20060128790A1公开（公告）日：2006-06-15The present invention is concerned with certain novel spiro substituted heterocylic ring derivatives. These compounds may be useful in the manufacture of pharmaceutical compositions for treating disorders mediated by lipoxygenases. They may also be useful in the manufacture of pharmaceutical formulations for the treatment of lipoxygenase-mediated disorders.本发明涉及某些新颖的螺环取代杂环环衍生物。这些化合物可能在制造用于治疗通过脂氧合酶介导的疾病的药物组合物方面有用。它们也可能在制造用于治疗脂氧合酶介导的疾病的药物配方方面有用。
表征谱图
- 氢谱1HNMR
- 质谱MS
- 碳谱13CNMR
- 红外IR
- 拉曼Raman
- 峰位数据
- 峰位匹配
- 表征信息
同类化合物
（1Z，3Z）-1，3-双[[（（4S）-4,5-二氢-4-苯基-2-恶唑基]亚甲基]-2,3-二氢-5,6-二甲基-1H-异吲哚 鲁拉西酮杂质33 鲁拉西酮杂质07 马吲哚 颜料黄110 顺式-六氢异吲哚盐酸盐 顺式-2-[(1,3-二氢-1,3-二氧代-2H-异吲哚-2-基)甲基]-N-乙基-1-苯基环丙烷甲酰胺 顺-N-(4-氯丁烯基)邻苯二甲酰亚胺 降莰烷-2,3-二甲酰亚胺 降冰片烯-2,3-二羧基亚胺基对硝基苄基碳酸酯 降冰片烯-2,3-二羧基亚胺基叔丁基碳酸酯 阿胍诺定 阿普斯特降解杂质 阿普斯特杂质29 阿普斯特杂质27 阿普斯特杂质26 阿普斯特杂质 阿普斯特 防焦剂MTP 铝酞菁 铁(II)2,9,16,23-四氨基酞菁 酞酰亚胺-15N钾盐 酞菁锡 酞菁二氯化硅 酞菁 单氯化镓(III) 盐 酞美普林 邻苯二甲酸亚胺 邻苯二甲酰基氨氯地平 邻苯二甲酰亚胺，N-((吗啉）甲基) 邻苯二甲酰亚胺阴离子 邻苯二甲酰亚胺钾盐 邻苯二甲酰亚胺钠盐 邻苯二甲酰亚胺观盐 邻苯二亚胺甲基磷酸二乙酯 那伏莫德 过氧化氢,2,5-二氢-5-苯基-3H-咪唑并[2,1-a]异吲哚-5-基 达格吡酮 诺非卡尼 螺[环丙烷-1,1'-异二氢吲哚]-3'-酮 螺[异吲哚啉-1,4'-哌啶]-3-酮盐酸盐 葡聚糖凝胶G-25 苹果酸钠 苯酚,4-溴-3-[(1-甲基肼基)甲基]-,1-苯磺酸酯 苯胺,4-乙基-N-羟基-N-亚硝基- 苯基甲基2-脱氧-2-(1,3-二氢-1,3-二氧代-2H-异吲哚-2-基)-3-O-(苯基甲基)-4,6-O-[(R)-苯基亚甲基]-BETA-D-吡喃葡萄糖苷 苯二酰亚氨乙醛二乙基乙缩醛 苯二甲酰亚氨基乙醛 苯二(甲)酰亚氨基甲基磷酸酯 膦酸,[[2-(1,3-二氢-1,3-二羰基-2H-异吲哚-2-基)苯基]甲基]-,二乙基酯 胺菊酯
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