3-羟基-4-甲氧基苯硼酸 - CAS号 269410-23-3

物化性质

沸点：

369.1±32.0 °C(Predicted)
密度：

1.11±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

1.7
重原子数：

18
可旋转键数：

2
环数：

2.0
sp3杂化的碳原子比例：

0.54
拓扑面积：

47.9
氢给体数：

1
氢受体数：

4

安全信息

海关编码：

2934999090
危险性防范说明：

P280,P305+P351+P338
危险性描述：

H302

SDS

SDS：9abceeecc61a85bd88a903161bcc1403

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 3-Hydroxy-4-Methoxyphenylboronic Acid Pinacol
Ester
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn Harmful R22
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 250,11 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
3-Hydroxy-4-Methoxyphenylboronic Acid Pinacol Ester
Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
3-Hydroxy-4-Methoxyphenylboronic Acid Pinacol Ester
Xn, R22 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
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.
Reference to other sections
For disposal see section 13.

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.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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
Safety glasses with side-shields conforming to EN166 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
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
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 No data available
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 No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition 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

SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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 sensitisation
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
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. 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.

SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
H302 Harmful if swallowed.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
Further information
Copyright 2014 Co. LLC. 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. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the 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：

3-羟基-4-甲氧基苯硼酸在吡啶、 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 作用下，以四氢呋喃、水为溶剂，反应 16.0h，生成 2-methoxy-5-(3,3,3-trifluoroprop-1-en-2-yl)phenyl trifluoromethanesulfonate

参考文献：

名称：

通过碘(I)/(III) 催化形成手性五氟化异丙基

摘要：

报道了构建 Pr 基团的对映体富集氟化等排体的 I(I)/(III) 催化策略。通过原位生成手性 ArIF 2物质，可实现易于接近的 α-CF 3 -苯乙烯的二氟化，从而与取代基 F、CH 2 F 和 CF 3形成立构中心（高达 95 %，>20:1邻位）：偕二氟化）。通过X射线晶体学（π→σ*和立体电子gauche σ→σ*相互作用）确定，代谢不稳定的苄基质子的替代产生了高度预组织的支架。公开了一种催化剂编辑方法，其中对映选择性的初步验证是建立在结构基础上的。

DOI：

10.1002/anie.202015946
作为产物：

描述：

5-溴-2-甲氧基苯酚、频那醇硼烷在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 频哪醇、 dimethyl sulfide borane 、三乙胺作用下，以 1,4-二氧六环为溶剂，反应 18.0h，生成 3-羟基-4-甲氧基苯硼酸

参考文献：

名称：

Hydroboronation process

摘要：

该发明涉及合成芳基或烯烃硼酸酯的过程，包括以下反应：(i) 在烯烃化合物中的烯基取代位置具有卤素或类卤素取代基，或者(ii) 在芳香环中的环取代位置具有卤素或类卤素取代基，与二取代单氢硼烷在第8-11族金属催化剂存在下反应。该发明还涉及这些硼酸酯在偶联反应中的应用。该发明还涉及某些二取代单氢硼烷和芳基或烯烃硼酸酯。

公开号：

US06680401B1

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文献信息

Novel piperazine derivatives

申请人：——

公开号：US20020143020A1

公开（公告）日：2002-10-03

The present invention is a chemical compound of formula (I) 1 or a pharmaceutically acceptable salts, solvates and esters thereof, wherein R 1 to R 4 , A 1 , A 2 m and n are as described in the specification.

本发明是一种具有公式(I)的化学化合物 1 或其药物可接受的盐、溶剂化物和酯，其中R 1 至R 4 ，A 1 ，A 2 ，m和n如说明书中所述。
Synthesis and biological evaluation of cis-restrained carbocyclic combretastatin A-4 analogs: Influence of the ring size and saturation on cytotoxic properties

作者：Christina Nowikow、Rita Fuerst、Maria Kauderer、Christian Dank、Walther Schmid、Marian Hajduch、Jiri Rehulka、Sona Gurska、Olena Mokshyna、Pavel Polishchuk、István Zupkó、Petr Dzubak、Uwe Rinner

DOI：10.1016/j.bmc.2019.07.048

日期：2019.10

physiological conditions, reducing the overall activity of the drug candidates. Herein, we report the preparation of cis-restrained carbocyclic analogs of CA-4. The compounds, which differ by the size and hybridization of the carbocyclic ring have been evaluated for their cytotoxic properties and their ability to inhibit tubulin polymerization. Biological data, supported by molecular docking studies, identified

Combretastatin A-4（CA-4）是一种高度细胞毒性的天然产物，已经制备了几种衍生物，并已进行了临床试验。这些研究表明，天然产物的顺式-lb部分在生理条件下易于进行顺式/反式异构化，从而降低了候选药物的总体活性。在这里，我们报告顺式的制备约束的CA-4碳环类似物。已经评估了因碳环的大小和杂交而异的化合物的细胞毒性和抑制微管蛋白聚合的能力。在分子对接研究的支持下，生物学数据确定了天然产物的环丁烯基和环丁基衍生物是高度有前途的候选药物。
[EN] HETEROCYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET PROCÉDÉS D'UTILISATION

申请人：MEDIVATION TECHNOLOGIES INC

公开号：WO2015058084A1

公开（公告）日：2015-04-23

The present application discloses compounds that are inhibitors of Btk, compounds that are inhibitors of ΡΒΚδ, and compounds that are dual inhibitors of both Btk and PI3Kδ. Also described are methods for synthesizing such inhibitors and methods for using such inhibitors for the treatment of diseases wherein inhibition of Btk and PI3Kδ provides a therapeutic benefit to a patient having the disease.

本申请公开了抑制Btk的化合物、抑制ΡΒΚδ的化合物，以及既是Btk又是PI3Kδ的双重抑制剂的化合物。还描述了合成这些抑制剂的方法，以及利用这些抑制剂治疗疾病的方法，其中抑制Btk和PI3Kδ对患有该疾病的患者提供治疗益处。
[EN] COMPOUNDS FOR USE IN THE TREATMENT OF FASCIOLIASIS<br/>[FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE LA FASCIOLOSE

申请人：MERCK PATENT GMBH

公开号：WO2020016235A1

公开（公告）日：2020-01-23

The present invention relates to compounds of formula (1a), (1b), (1c), (1d) or (1e) and pharmaceutically acceptable salts or solvates thereof for use in the treatment or prevention of fascioliasis. Some of these compounds are novel per se and also have activity as inhibitors of Schistosoma growth. The invention also relates to pharmaceutical compositions comprising such novel compounds, salts or solvates and to the use of such novel compounds as medicaments, in particular in the treatment or prevention of schistosomiasis, also known as bilharzia.

本发明涉及式（1a）、（1b）、（1c）、（1d）或（1e）的化合物及其药学上可接受的盐或溶剂，用于治疗或预防肝吸虫病。其中一些化合物本身是新颖的，并且还具有作为血吸虫生长抑制剂的活性。该发明还涉及包含这种新颖化合物、盐或溶剂的药物组合物，以及将这种新颖化合物用作药物，特别是用于治疗或预防血吸虫病，也称为血吸虫病的用途。
[EN] COMPOUNDS AND THEIR USE IN THE TREATMENT OF SCHISTOSOMIASIS<br/>[FR] COMPOSÉS ET LEUR UTILISATION DANS LE TRAITEMENT DE LA SCHISTOSOMIASE

申请人：SALVENSIS

公开号：WO2018130853A1

公开（公告）日：2018-07-19

The present invention relates to novel compounds and pharmaceutically acceptable salts or solvates thereof which have activity as inhibitors of Schistosoma growth. The invention also relates to pharmaceutical compositions comprising such compounds, salts or solvates and to the use of such compounds as medicaments, in particular in the treatment or prevention of schistosomiasis, also known as bilharzia.

本发明涉及具有抑制血吸虫生长活性的新化合物及其药用可接受的盐或溶剂化合物。该发明还涉及包含这些化合物、盐或溶剂化合物的药物组合物，以及将这些化合物用作药物，特别是用于治疗或预防血吸虫病，也称为血吸虫病。

3-羟基-4-甲氧基苯硼酸 | 269410-23-3

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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