3-(3,5-二叔丁基-4-羟基苯基)丙酸 | 20170-32-5

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 3-(3,5-二叔丁基-4-羟基苯基)丙酸
• 中文别名: 3,5酸；3,5-二叔丁基-4-羟基苯丙酸；3,5-二叔丁基-4-羟基苯基丙酸；3,5-二-叔-丁基-4-羟基苯基丙酸
• 英文名称: 4-hydroxy-3,5-di-tert-butylphenylpropionic acid
• 英文别名: fenozan acid；3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid；3,5-di-tert-butyl-4-hydroxyphenylpropionic acid；3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
• CAS: 20170-32-5
• 化学式: C₁₇H₂₆O₃
• mdl: MFCD00017519
• 分子量: 278.392
• InChiKey: WPMYUUITDBHVQZ-UHFFFAOYSA-N

物化性质

• 熔点：
  172-174°C
• 沸点：
  364.3±37.0 °C(Predicted)
• 密度：
  1.049±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO（微溶）、乙醇（微溶）、甲醇（微溶）
• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解。避免接触氧化物、碱。

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.588
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• TSCA：
  Yes
• 危险等级：
  IRRITANT
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2918290000
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  保持贮藏器密封，将其放入一个紧密封装的容器中，并储存在阴凉、干燥的地方。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid
Ingredient name:
CAS number: 20170-32-5

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C17H26O3
Molecular weight: 278.4

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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.

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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：

  3-(3,5-二叔丁基-4-羟基苯基)丙酸 在 palladium on activated charcoal ammonium hydroxide 、 sodium hydroxide 、 lithium aluminium tetrahydride 、 氯化亚砜 、 氢气 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 34.25h， 生成 1-[3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-propyl]-3-hydroxy-2-methyl-1H-pyridin-4-one
  参考文献：
  名称：

  与3-羟基-2-甲基-4（1H）-吡啶酮连接的3,5-二取代-4-羟基苯基：脂质过氧化和细胞毒性的有效抑制剂。

  摘要：

  DOI：

  10.1021/jm990945v
• 作为产物：
  描述：

  3,5-二叔丁基-4-羟基肉桂酸 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、344.75 kPa 条件下， 反应 3.0h， 以98%的产率得到3-(3,5-二叔丁基-4-羟基苯基)丙酸
  参考文献：
  名称：

  与3-羟基-2-甲基-4（1H）-吡啶酮连接的3,5-二取代-4-羟基苯基：脂质过氧化和细胞毒性的有效抑制剂。

  摘要：

  DOI：

  10.1021/jm990945v

文献信息

• Piperazine-substituted aryl and aralkyl carboxylic acids useful for
  申请人：Boehringer Mannheim GmbH

  公开号：US04616086A1

  公开（公告）日：1986-10-07

  The present invention is concerned with new carboxylic acid derivatives, with processes for the preparation thereof and with pharmaceutical compositions for lipid depression and thrombocyte aggregation, containing them, and to methods for treating infirmaties caused by excess lipids or thrombocyte aggregation. The new carboxylic acid derivatives according to the present invention are compounds of the general formula: ##STR1## wherein A is a valency bond or a lower alkylene chain, B is a valency bond or a saturated or unsaturated lower alkylene chain, R is hydrogen, an alkyl group which can be substituted by hydroxyl, carboxyl, sulphonic acid or optionally substituted phenoxy group, or R is an aralkyl radical, the aryl moiety of which can be substituted and the alkyl moiety of which is optionally unsaturated and can contain up to 4 carbon atoms, or R is a phenacyl radical, the phenyl moiety optionally substituted, or R is an acyl radical derived from aliphatic, araliphatic or aromatic carboxylic or sulphonic acid, or R is an aryl radical optionally substituted with the proviso that when A is a valency bond, R cannot be hydrogen, methyl, ethyl, hydroxyethyl, benzyl or phenyl, and the physiologically acceptable salts, esters and amides thereof.

  本发明涉及新的羧酸衍生物，涉及其制备方法以及用于脂质抑制和血小板聚集的药物组合物，其中包含它们，并且涉及用于治疗由于脂质过多或血小板聚集引起的疾病的方法。根据本发明的新羧酸衍生物是符合以下一般式的化合物：##STR1## 其中A是一个价键或较低的烷基链，B是一个价键或饱和或不饱和的较低烷基链，R是氢，一种可以被羟基，羧基，磺酸基或可选择地取代的苯氧基团取代的烷基团，或者R是一种芳基烷基基团，其芳基部分可以被取代，烷基部分可以是可选择地不饱和的并且可以含有多达4个碳原子，或者R是一种苯乙酰基基团，苯基部分可选择地取代，或者R是由脂肪，芳基脂肪或芳香族羧酸或磺酸衍生的酰基基团，或者R是一种芳基基团，可选择地取代，但当A是一个价键时，R不能是氢，甲基，乙基，羟乙基，苄基或苯基，以及其生理上可接受的盐，酯和酰胺。
• MULTIFUNCTIONAL SYNERGISTIC MACROMOLECULAR ANTI-OXIDATION STABILIZER AND PREPARATION METHOD AND USE THEREOF
  申请人：SHAOXING RUIKANG BIOTECHNOLOGES CO., INC

  公开号：US20170334821A1

  公开（公告）日：2017-11-23

  Disclosed is an anti-oxidation stabilizer, which has the following structure (A), wherein R1 is a connection chain, and the connection chain is a fatty chain, an aromatic structural chain or a fatty and aromatic structurally combined chain; R2 is (B), and X is O, S, N or NH or —CONR—, Z is O, S, N or NH, and X is different from Z; R is a fatty chain, an aromatic group, a sterically hindered amine or sterically hindered phenol, R3 is a fatty chain, an aromatic group, a sterically hindered amine or sterically hindered phenol, and R is identical to R3, or R is different from R3; n is a positive integer including 1, n1 is a positive integer including 1, and n is identical to n1, or n is different from n1.

  披露了一种抗氧稳定剂，其具有如下结构（A），其中R1是连接链，而连接链是脂肪链、芳香结构链或脂肪和芳香结构组合链；R2是（B），X是O、S、N或NH或—CONR—，Z是O、S、N或NH，且X与Z不同；R是脂肪链、芳香基团、空间位阻胺或空间位阻酚，R3是脂肪链、芳香基团、空间位阻胺或空间位阻酚，且R与R3相同，或R与R3不同；n是包括1的正整数，n1是包括1的正整数，且n与n1相同，或n与n1不同。
• Copper-Catalyzed Decarboxylative Difluoromethylation
  作者：Xiaojun Zeng、Wenhao Yan、Samson B. Zacate、Tzu-Hsuan Chao、Xiaodong Sun、Zhi Cao、Kate G. E. Bradford、Matthew Paeth、Sam B. Tyndall、Kundi Yang、Tung-Chun Kuo、Mu-Jeng Cheng、Wei Liu

  DOI：10.1021/jacs.9b05363

  日期：2019.7.24

  We report herein a highly efficient Cu-catalyzed protocol for the conversion of aliphatic carboxylic acids to the corresponding difluoromethylated analogues. This robust, operationally simple and scalable protocol tolerates a variety of functional groups and can convert a diverse array of acid-containing complex molecules to the alkyl-CF2H products. Mechanistic studies support the involvement of alkyl

  我们在此报告了一种高效的铜催化方案，用于将脂肪族羧酸转化为相应的二氟甲基化类似物。这种稳健、操作简单且可扩展的协议可以容忍多种官能团，并且可以将各种含酸的复杂分子转化为烷基-CF2H 产品。机理研究支持烷基自由基的参与。
• Benzofuran-2-ones as stabilizers
  申请人：Ciba Specialty Chemicals Corporation

  公开号：US05693829A1

  公开（公告）日：1997-12-02

  The invention relates to compounds of formula I ##STR1## wherein the general symbols are as defined in claim 1, as stabilizers for protecting organic materials against thermal, oxidative or light-induced degradation.

  这项发明涉及到式I的化合物，其中一般符号如权利要求书中所定义的那样，作为稳定剂，用于保护有机材料免受热、氧化或光诱导降解的影响。
• Borated polyol ester of hindered phenol antioxidant/friction modifier with enhanced performance
  申请人：Suen Yat Fan

  公开号：US20160355746A1

  公开（公告）日：2016-12-08

  The present invention is directed to compounds comprising the reaction products of a phenolic ester polyol, a boron containing compound, and optionally, an alcohol. Also disclosed are compounds comprising the reaction products of a polyol, a boron containing compound, and a phenolic acid or ester. Lubricating oil compositions and additive concentrates comprising above compounds, and methods for operating an internal combustion engine using said lubricating oil compositions are also disclosed.

  本发明涉及包括酚酯多元醇、含硼化合物以及可选的醇的反应产物的化合物。还公开了包括多元醇、含硼化合物以及酚酸或酯的反应产物的化合物。还公开了包括上述化合物的润滑油组合物和添加剂浓缩物，以及使用所述润滑油组合物操作内燃机的方法。