2-苯基丁酸酐 | 1519-21-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-苯基丁酸酐
• 中文别名: 双(2-酸基丁酸)酐
• 英文名称: 2-phenylbutyric anhydride
• 英文别名: 2-phenylbutanoic anhydride；(+/-)α-phenylbutyric anhydride；2-Phenylbutyric acid anhydride；2-phenylbutanoyl 2-phenylbutanoate
• CAS: 1519-21-7
• 化学式: C₂₀H₂₂O₃
• mdl: MFCD00040493
• 分子量: 310.393
• InChiKey: NMVCQWBTTHDUQD-UHFFFAOYSA-N

物化性质

• 沸点：
  132 °C/0.1 mmHg (lit.)
• 密度：
  1.072 g/mL at 20 °C (lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2916399090
• 危险品运输编号：
  UN 3265 8/PG 3

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2-Phenylbutyric acid anhydride
CAS-No. : 1519-21-7

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
Causes severe skin burns and eye damage.
Precautionary statement(s)
Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R34 Causes burns.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
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
Substances
Formula : C20H22O3
Molecular Weight : 310,39 g/mol
Component Concentration
2-Phenylbutyric anhydride
CAS-No. 1519-21-7 -
EC-No. 216-180-0

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Section 4. FIRST AID MEASURES
Description of 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
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. 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
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid inhalation of vapour or mist.
Normal measures for preventive fire protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Store under inert gas. Moisture sensitive.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
tested and approved under appropriate government standards such as NIOSH (US) or EN
166(EU).
Skin 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.
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.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) 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).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: clear, liquid
Colour: light yellow
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 132 °C at 0,1 hPa
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 1,072 g/mL at 20 °C
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
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
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract.
Ingestion May be harmful if swallowed. Causes burns.
Skin May be harmful if absorbed through skin. Causes skin burns.
Eyes Causes eye burns.
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
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 3265 IMDG: 3265 IATA: 3265
UN proper shipping name
ADR/RID: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (2-Phenylbutyric anhydride)
IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (2-Phenylbutyric anhydride)
IATA: Corrosive liquid, acidic, organic, n.o.s. (2-Phenylbutyric anhydride)
Transport hazard class(es)
ADR/RID: 8 IMDG: 8 IATA: 8
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-苯基丁酸酐 生成 (R)-(-)-2-苯基丁酸
  参考文献：
  名称：

  来自 Caulerpa prolifera 的三种角鲨烯衍生物

  摘要：

  摘要 (6S,7S)-Squalene-6,7-epoxide, (10S, 11S)-squalene-10,11-epoxide 和 all-trans-(3S)-2,6,10,15,19,23-hexamethyltetracosa -1,6,10,14,18,22-hexaen-3-ol 已从海藻 Caulerpa prolifera 中分离出来。

  DOI：

  10.1016/0031-9422(82)83189-0
• 作为产物：
  描述：

  2-苯基丁酸 在 乙酸酐 作用下， 反应 3.0h， 生成 2-苯基丁酸酐
  参考文献：
  名称：

  从 5-取代四唑和乙酸酐制备 5-取代 2-甲基-1,3,4-恶二唑

  摘要：

  摘要 容易获得的四唑可以通过加热其乙酸酐溶液转化为相应的 2-甲基-1,3,4-恶唑二唑。该方法简单、短、收率高，适用于大规模合成。

  DOI：

  10.1080/00397919408010158

文献信息

• [EN] ANTICANCER AGENTS<br/>[FR] AGENTS ANTICANCÉREUX
  申请人：YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD

  公开号：WO2021024256A1

  公开（公告）日：2021-02-11

  The invention generally concerns a method for conjugating an active material to a Pt complex.

  这项发明通常涉及一种将活性材料与铂配合物结合的方法。
• A new synthesis of carboxylic and carbonic acid anhydrides using phase transfer reactions
  作者：Daniel Plusquellec、Fabienne Roulleau、Martine Lefeuvre、Eric Brown

  DOI：10.1016/s0040-4020(01)81698-7

  日期：1988.1

  liquid-liquid phase transfer conditions to afford high yields of the corresponding symmtrical carboxylic and carbonic hemiester anhydrides. Unstable, anhydrides such as 4-nitrobenzoïc, 2-furoïc and methacrylic anhydrides, which are otherwise difficult to obtain, were easily prepared by this method. The reaction mechanism does not seem to involve intermediate hydrolysis of half the acid chloride into the

  使用液-液相转移条件，酰氯和烷基氯甲酸酯与一摩尔当量的氢氧化钠平稳反应，得到高产率的相应的对称羧酸和碳半酯酸酐。用这种方法很容易制得不稳定的酸酐，如4-硝基苯甲酸酐，2-糠醛和甲基丙烯酸酐，否则很难获得。该反应机理似乎不涉及将一半的酰氯中间水解为相应的羧酸钠。
• AlNiCl2.6H2OTHF: A new, mild and neutral system for selective reduction of organic functional groups
  作者：Bhabani K. Sarmah、Nabin C. Barua

  DOI：10.1016/s0040-4020(01)82402-9

  日期：1991.9

  A mild and neutral reducing system consisting of AlNiCl2.6H2OTHF has been developed and reacted with a series of organic compounds containing different functional groups in order to evaluate its synthetic utility. It was observed that this system very efficiently reduces the α-enones to the saturated ketones, aromatic aldehydes and ketones to the corresponding alcohols, nitriles and nitroarenes to

  由AlNiCl的温和的和中性降低系统2 ·6H 2 OTHF已经开发并用一系列含有，以评价它的合成的效用不同官能团的有机化合物的反应。观察到该体系非常有效地将α-烯酮还原为饱和酮，芳族醛和酮为相应的醇，腈和硝基芳烃为胺，酸酐和酰氯为醛，二硫化物为硫醇和环氧化物为相应的醇。 。另一方面，发现孤立的双键，羧酸，酯，内酯，伯，苄基和烯丙基卤化物，脂族醛和酮以及脂族硝基化合物对该体系保持惰性。此外，AlNiCl的还原性能2 ·6H 2 ö中也进行了研究几个其他的有机溶剂。
• A General Palladium-Catalyzed Carbonylative Synthesis of 2-Alkylbenzoxazinones from 2-Bromoanilines and Acid Anhydrides
  作者：Xiao-Feng Wu、Helfried Neumann、Matthias Beller

  DOI：10.1002/chem.201202142

  日期：2012.10.1

  (C), its (O)K! An efficient palladium‐catalyzed carbonylative synthesis of 2‐alkylbenzoxazinones has been developed (see scheme). By starting from 2‐bromoanilines and acid anhydrides, the corresponding products were isolated in good yields.

  （C），其（O）K！已经开发了一种有效的钯催化的2-烷基苯并恶嗪酮的羰基合成方法（参见方案）。从2-溴苯胺和酸酐开始，可以高收率分离出相应的产物。
• Hexahydropyridazine-3-carboxylic acid hydrazide and hydrazone derivatives, combinatorial libraries containing same, pharmaceutical compositions containing same and methods of preparation
  申请人：Bhatnagar Neerja

  公开号：US20050215553A1

  公开（公告）日：2005-09-29

  The present invention discloses and claims hexahydropyridazine-3-carboxylic acid hydrazides and hydrazones of formula (I) as inhibitors of proteases and kinases, and methods of using said compounds of formula (I) for the prevention or treatment of certain cardiovascular, central nervous system, inflammatory, and bone diseases as well as infectious diseases and certain cancers. Combinatorial libraries of the compounds of formula (I), pharmaceutical compositions, and methods for the preparation of combinatorial libraries and the compounds of formula (I) are also disclosed and claimed.

  本发明公开并声明公式（I）的六氢吡啶-3-羧酸肼和肼酮作为蛋白酶和激酶的抑制剂，并使用公式（I）的这些化合物预防或治疗某些心血管、中枢神经系统、炎症和骨病以及传染病和某些癌症。还公开并声明了公式（I）的化合物的组合式库、药物组合物以及制备组合式库和公式（I）的化合物的方法。