89291-23-6 (2-(二甲基胺)苯硼酸,2-(Dimethylamino)phenylboronic acid)

快速询单

结构式：

2-(二甲基胺)苯硼酸MOL文件

CAS号：

89291-23-6

中文名称：

2-(二甲基胺)苯硼酸

英文名称：

2-(Dimethylamino)phenylboronic acid

分子式：

C₈H₁₂BNO₂

分子量：

164.997382164001

2-(二甲基胺)苯硼酸(89291-23-6)名称与标识符

名称

中文别名：

2-(二甲氨基)苯硼酸;2-(二甲氨基)苯基硼酸;2-(二甲基胺)苯硼酸;

英文别名：

Boronic acid,B-[2-(dimethylamino)phenyl]-;2-(Dimethylamine)phenylboronic acid;[2-(dimethylamino)phenyl]boronic acid;2-(Dimethylamino)phenylboronic acid;2-DIMETHYLAMINOPHENYLBORONIC ACID;[2-(dimethylamino)phenyl]boronic acid(SALTDATA: HCl 0.7H2O);N,N-dimethylaminobenzeneboronic acid;2-(Dimethylamino)phenylboronicAcid;Boronic acid, [2-(dimethylamino)phenyl]-;NLTUDNKQUJVGKP-UHFFFAOYSA-N;AB08809;SY025021;Boronic acid,B-[2-(dimeth;B-[2-(Dimethylamino)phenyl]boronic acid (ACI);Boronic acid, [2-(dimethylamino)phenyl]- (9CI);DTXSID60402561;(2-(Dimethylamino)phenyl)boronic acid;DB-010406;2-(Dimethylamine)phenylboronic acid;2-Dimethylaminophenylboronic acid;(2-(Dimethylamino)phenyl)boronicacid;EN300-251015;89291-23-6;MFCD01318997;GS-6183;J-506384;NCGC00249505-01;AC1046;AKOS003585311;SCHEMBL27870;CS-0176064;

标识符

MDL：

MFCD01318997

InChIKey：

NLTUDNKQUJVGKP-UHFFFAOYSA-N

Inchi：

1S/C8H12BNO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6,11-12H,1-2H3

SMILES：

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

2-(二甲基胺)苯硼酸(89291-23-6)物化性质

实验特性

LogP : -0.56760
PSA : 43.70000
折射率 : 1.547
沸点 : 317°C at 760 mmHg
闪点 : 145.5°C
密度 : 1.12

计算特性

精确分子量 : 165.09600
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 2
同位素质量 : 165.096
重原子数量 : 12
复杂度 : 141
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
疏水参数计算参考值（XlogP） : 无
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 43.7
分子量 : 165.00

2-(二甲基胺)苯硼酸(89291-23-6)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%

2-(二甲基胺)苯硼酸(89291-23-6)推荐厂家更多厂家(22)

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
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上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海创赛科技有限公司	15021221957 021-59553580	凌度	2852351983	询单
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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

2-(二甲基胺)苯硼酸(89291-23-6)合成路线

合成路线：1 步

698-00-0

_79%

89291-23-6

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; -78 °C; 75 min, -78 °C
1.2 Reagents: Triisopropyl borate Solvents: Tetrahydrofuran ; 1.5 h, -78 °C; 48 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; 20 min, rt
1.4 Reagents: Sodium hydroxide Solvents: Water ; pH 7, rt

参考文献：

A Search for X-ray Crystallographic Evidence of n → π* Interactions in a Series of Substituted 2-(Dimethylamino)biphenyl-2'-carboxaldehydes

Breton, Gary W. ; Davis, Lindsey O.; Martin, Kenneth L.; Chambers, Thomas A., Crystal Growth & Design, 2019, 19(7), 3895-3904

合成路线：1 步

698-00-0

_77%

89291-23-6

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; 2 h, -78 °C
1.2 Reagents: Triisopropyl borate ; -78 °C; overnight, -78 °C → rt
1.3 Reagents: Water

参考文献：

Asymmetric Cycloisomerization of o-Alkenyl-N-Methylanilines to Indolines by Iridium-Catalyzed C(sp3)-H Addition to Carbon-Carbon Double Bonds

Torigoe, Takeru ; Ohmura, Toshimichi ; Suginome, Michinori, Angewandte Chemie, 2017, 56(45), 14272-14276

合成路线：1 步

698-00-0

_68%

89291-23-6

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; rt → -78 °C; 30 min, -78 °C; -78 °C → 0 °C
1.2 Reagents: Triisopropyl borate ; 15 min, 0 °C; 0 °C → -78 °C; 1 h, -78 °C; overnight, -78 °C → rt
1.3 Reagents: Water

参考文献：

Axial Chirality Control During Suzuki-Miyaura Cross-Coupling Reactions: The tert-Butylsulfinyl Group as an Efficient Chiral Auxiliary

Colobert, Francoise; Valdivia, Victoria; Choppin, Sabine; Leroux, Frederic R.; Fernandez, Inmaculada; et al, Organic Letters, 2009, 11(22), 5130-5133

合成路线：1 步

313220-10-9

_45%

89291-23-6

反应条件：

1.1 Reagents: Water Solvents: Water

参考文献：

Arylboronic acids with intramolecular boron-nitrogen interaction: convenient synthesis through ortho-lithiation of substituted benzylamines

Lauer, Manfred; Wulff, Guenter, Journal of Organometallic Chemistry, 1983, 256(1), 1-9

合成路线：1 步

121-69-7

_37%

89291-23-6

反应条件：

1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine Solvents: Diethyl ether
1.2 Reagents: Butyllithium ; 8 h
1.3 Reagents: Trimethyl borate ; 24 h, -70 °C
1.4 Reagents: Water ; 1 h

参考文献：

Novel extensions of the tert-amino effect: formation of phenanthridines and diarene-fused azocines from ortho-ortho'-functionalized biaryls

Polonka-Balint, Agnes; Saraceno, Caterina; Ludanyi, Krisztina; Benyei, Attila; Matyus, Peter, Synlett, 2008, (18), 2846-2850

合成路线：1 步

121-69-7

_32%

89291-23-6

反应条件：

1.1 Reagents: Butyllithium , N,N,N′,N′-Tetramethylethylenediamine Solvents: Hexane ; -78 °C; 16 h, rt; rt → -78 °C
1.2 Reagents: Trimethyl borate ; -78 °C → rt; 2 h, rt
1.3 Solvents: Chloroform , Water ; 1 h, rt

参考文献：

Practical and scalable synthesis of borylated heterocycles using bench-stable precursors of metal-free lewis pair catalysts

Jayaraman, Arumugam ; Misal Castro, Luis C.; Fontaine, Frederic-Georges, Organic Process Research & Development, 2018, 22(11), 1489-1499

合成路线：1 步

698-00-0

89291-23-6

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; 30 min, < -70 °C; 75 min, -78 °C
1.2 Reagents: Triisopropyl borate Solvents: Tetrahydrofuran ; 1 h, -78 °C; 48 h, -78 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Probing the Importance of the Hemilabile Site of Bis(phosphine) Monoxide Ligands in the Copper-Catalyzed Addition of Diethylzinc to N-Phosphinoylimines: Discovery of New Effective Chiral Ligands

Bonnaventure, Isabelle; Charette, Andre B., Journal of Organic Chemistry, 2008, 73(16), 6330-6340

2-(二甲基胺)苯硼酸(89291-23-6)上下游

2'-溴-N,N-二甲基-[1,1'-联苯]-2-胺硼酸三甲酯二甲基苯胺 2-溴-N,正二甲基苯胺

2-(二甲基胺)苯硼酸(89291-23-6) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 2-(Dimethylamino)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: 2-(Dimethylamino)phenylboronic acid
CAS number: 89291-23-6

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, under ?20?C.
    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:        C8H12BNO2
    Molecular weight:        165.0

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

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