859169-20-3 ((4-乙氧羰基甲苯基)硼酸频哪醇酯,Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetate)

快速询单

结构式：

(4-乙氧羰基甲苯基)硼酸频哪醇酯MOL文件

CAS号：

859169-20-3

中文名称：

(4-乙氧羰基甲苯基)硼酸频哪醇酯

英文名称：

Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetate

分子式：

C₁₆H₂₃BO₄

分子量：

290.162425279617

(4-乙氧羰基甲苯基)硼酸频哪醇酯(859169-20-3)名称与标识符

名称

中文别名：

(4-乙氧羰基甲苯基)硼酸片钠醇酯;(4-乙氧羰基甲苯基)硼酸频哪醇酯;2-[(4-乙氧基羰基甲基)苯基]-4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷;4-(乙氧基羰基甲基)苯基硼酸频哪醇酯;

英文别名：

(4-Ethoxycarbonylmethylphenyl)boronic acid pinacol ester;(4-Ethoxycarbonylmethylphenyl)-boronic acid pinacol ester;4-(Ethoxycarbonylmethyl)Phenylboronic Acid Pinacol Ester;4-(ethoxycarbonylmethyl)phenylboronic acid, pinaco;4-Ethoxycarbonylmethylphenylboronic acid, pinacol ester;Benzeneaceticacid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester;ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate;Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate;2-[(4-Ethoxycarbonylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic Acid Ethyl Ester;4-(ETHOXYCARBONYLMETHYL)PHENYLBORONIC ACID, PINACOL ESTER;(4-Ethoxycarbonylmethylphenyl)boronic acid, pinacol ester;ethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate;ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxabor;[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid ethyl ester;Ethyl [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetate;

标识符

MDL：

MFCD08704684

InChIKey：

RPRBNRDIESZHFL-UHFFFAOYSA-N

Inchi：

1S/C16H23BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3

SMILES：

O=C(CC1C=CC(B2OC(C)(C)C(C)(C)O2)=CC=1)OCC

(4-乙氧羰基甲苯基)硼酸频哪醇酯(859169-20-3)物化性质

实验特性

LogP : 2.09140
PSA : 44.76000

计算特性

精确分子量 : 290.16900
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 5
同位素质量 : 290.169
重原子数量 : 21
复杂度 : 357
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 : 44.8

(4-乙氧羰基甲苯基)硼酸频哪醇酯(859169-20-3)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%

(4-乙氧羰基甲苯基)硼酸频哪醇酯(859169-20-3)推荐厂家更多厂家(26)

公司名称	手机号/电话	联系人	QQ	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	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
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
武汉鑫伟烨化工有限公司	18502781673 027-18502781673	张经理	359501377	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	1226360695	询单

(4-乙氧羰基甲苯基)硼酸频哪醇酯(859169-20-3)合成路线

合成路线：1 步

195062-61-4

5764-82-9

_75%

859169-20-3

反应条件：

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium , Phosphonium, tricyclohexyl[(2-methylphenyl)methyl]-, chloride (1:1) Solvents: Tetrahydrofuran ; 1 h, rt
1.2 Reagents: N,N,N′,N′-Tetramethylethylenediamine ; 16 h, rt
1.3 Reagents: Water ; rt

参考文献：

Coupling of Reformatsky reagents with aryl chlorides enabled by ylide-functionalized phosphine ligands

Hu, Zhiyong ; et al, Angewandte Chemie, 2021, 60(12), 6778-6783

合成路线：1 步

73183-34-3

15250-46-1

_67%

859169-20-3

反应条件：

1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ; 36 h, 80 °C

参考文献：

Conjugated or Broken: The Introduction of Isolation Spacer ahead of the Anchoring Moiety and the Improved Device Performance

Chai, Zhaofei; et al, ACS Applied Materials & Interfaces, 2016, 8(42), 28652-28662

(4-乙氧羰基甲苯基)硼酸频哪醇酯(859169-20-3)上下游

4-溴苯乙酸乙酯对碘苯乙酸乙酯对溴苯乙酸频那醇硼烷联硼酸频那醇酯

(4-乙氧羰基甲苯基)硼酸频哪醇酯(859169-20-3)参考资料

Reaxys RN：

10008950

(4-乙氧羰基甲苯基)硼酸频哪醇酯(859169-20-3) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 4-Ethoxycarbonylmethylphenylboronic acid, pinacol ester
Synonyms: (4-Ethoxycarbonylmethyl)phenylboronic acid, pinacol ester

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

Section 3. Composition/information on ingredients.
Ingredient name: 4-Ethoxycarbonylmethylphenylboronic acid, pinacol ester
CAS number: 859169-20-3

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:        C16H23BO4
    Molecular weight:        290.2

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