955369-43-4 (3-(2-羟基丙烷-2-基)苯硼酸,[3-(2-hydroxypropan-2-yl)phenyl]boronic acid)

快速询单

结构式：

3-(2-羟基丙烷-2-基)苯硼酸MOL文件

CAS号：

955369-43-4

中文名称：

3-(2-羟基丙烷-2-基)苯硼酸

英文名称：

[3-(2-hydroxypropan-2-yl)phenyl]boronic acid

分子式：

C₉H₁₃BO₃

分子量：

180.008723020554

3-(2-羟基丙烷-2-基)苯硼酸(955369-43-4)名称与标识符

名称

中文别名：

3-(2-羟基丙烷-2-基)苯硼酸;

英文别名：

(3-(2-Hydroxypropan-2-yl)phenyl)boronic acid;[3-(2-hydroxypropan-2-yl)phenyl]boronic acid;3-(2-Hydroxy-2-propanyl)phenylboronic acid pinacol ester;3-(2-hydroxypropan-2-yl)phenylboronic acid;3-(2-HYDROXYPROPAN-2-YL)PHENYLBORONIC ACID, PINACOL ESTER;B-[3-(1-Hydroxy-1-methylethyl)phenyl]boronic acid;3-(2-Hydroxy-2-propyl)phenylboronic Acid;[3-(2-Hydroxy-2-propanyl)phenyl]boronic acid;Boronic acid, B-[3-(1-hydroxy-1-methylethyl)phenyl]-;GWCVKWLBDVTRQX-UHFFFAOYSA-N;FCH832918;LS11334;AM85107;SY110647;OR350197;AX8239993;B-[3-(1-Hydroxy-1-methylethyl)phenyl]boronic acid (ACI);AKOS006227916;(3-(2-HYDROXYPROPAN-2-YL)PHENYL)BORONICACID;MFCD09992906;3-(1-hydroxy-1-methylethyl)phenylboronic acid;DA-00206;DTXSID40703088;CS-0029532;[3-(1-Hydroxy-1-methyl-ethyl)phenyl]boronic acid;955369-43-4;DS-18024;SCHEMBL1814249;

标识符

MDL：

MFCD09992906

InChIKey：

GWCVKWLBDVTRQX-UHFFFAOYSA-N

Inchi：

1S/C9H13BO3/c1-9(2,11)7-4-3-5-8(6-7)10(12)13/h3-6,11-13H,1-2H3

SMILES：

OB(C1C=C(C(C)(C)O)C=CC=1)O

3-(2-羟基丙烷-2-基)苯硼酸(955369-43-4)物化性质

实验特性

LogP : -0.40620
PSA : 60.69000
沸点 : 363.6±44.0°C at 760 mmHg
溶解度 : 微溶 (6.5 g/L) (25 ºC),
密度 : 1.16±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 180.09600
氢键供体数量 : 3
氢键受体数量 : 3
可旋转化学键数量 : 2
同位素质量 : 180.0957744g/mol
重原子数量 : 13
复杂度 : 170
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
拓扑分子极性表面积 : 60.7

3-(2-羟基丙烷-2-基)苯硼酸(955369-43-4)安全信息

3-(2-羟基丙烷-2-基)苯硼酸(955369-43-4)海关数据

海关编码：

2931900090

海关数据：

中国海关编码：

2931900090

概述：

2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%

Summary：

2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

3-(2-羟基丙烷-2-基)苯硼酸(955369-43-4)推荐厂家更多厂家(16)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
金锦乐（湖南）化学有限公司		金锦乐	800181905	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单

3-(2-羟基丙烷-2-基)苯硼酸(955369-43-4)合成路线

合成路线：1 步

30951-66-7

_53%

955369-43-4

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ; -60 °C; 1 h, -60 °C
1.2 Reagents: Trimethyl borate ; -60 °C; 12 h, rt
1.3 Reagents: Water
1.4 Reagents: Hydrochloric acid Solvents: Water ; pH 2 - 3

参考文献：

Dihydropyrazolone-pyrimidine compound, preparation method and use

, World Intellectual Property Organization, , ,

合成路线：1 步

30951-66-7

955369-43-4

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ; -78 °C; 0.5 h, -78 °C
1.2 Reagents: Triisopropyl borate ; 2 h, -78 °C
1.3 Reagents: Water

参考文献：

Preparation of pyrazolopyrimidines and its application in wee1 inhibitors

, China, , ,

合成路线：1 步

955369-43-4

参考文献：

Dihydropyrazolopyrimidinone derivatives as Wee1 kinase inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer

, United States, , ,

3-(2-羟基丙烷-2-基)苯硼酸(955369-43-4)上下游

2-(3-溴苯基)-2-丙醇

3-(2-羟基丙烷-2-基)苯硼酸(955369-43-4) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 3-(2-Hydroxypropan-2-yl)phenylboronic acid
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 3-(2-Hydroxypropan-2-yl)phenylboronic acid
CAS number: 955369-43-4

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    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
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ?ghting measures
    In the event of a ?re 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.

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.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    Storage:

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.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C9H13BO3
    Molecular weight:        180.0

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

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.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

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.

SECTION 16 - ADDITIONAL INFORMATION
N/A