Cas no 863868-32-0 (4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile structure

863868-32-0 structure

Product Name:4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS No:863868-32-0

MF:C₁₄H₁₈BNO₂

MW:243.109223842621

MDL:MFCD11617918

CID:706841

PubChem ID:49835895

Update Time:2024-10-26

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

- 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- 2-Methyl-5-cyanophenylboronic acid pinacol ester
- Benzonitrile, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)-
- B-4655
- 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (ACI)
- MFCD11617918
- SCHEMBL14895853
- DTXSID30678610
- 4-Methylbenzonitrile-3-boronic acid pinacol ester
- 863868-32-0
- Benzonitrile,4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- R10001
- 2-Methyl-5-cyanophenyl boronic acid pinacol ester
- BS-25884
- Z2044784498
- EN300-316422
- 4-METHYL-3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
- GAEPDTKCKFRFPX-UHFFFAOYSA-N
- (5-CYANO-2-METHYLPHENYL)BORONIC ACID PINACOL ESTER
- AKOS022176075
- MB10006
- J-510002
- CS-0135360
- MDL： MFCD11617918
- Inchi： 1S/C14H18BNO2/c1-10-6-7-11(9-16)8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3
- InChI Key： GAEPDTKCKFRFPX-UHFFFAOYSA-N
- SMILES： N#CC1C=C(B2OC(C)(C)C(C)(C)O2)C(C)=CC=1

Computed Properties

Exact Mass: 243.14300
Monoisotopic Mass: 243.143
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 18
Rotatable Bond Count: 1
Complexity: 355
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 42.2A^2

Experimental Properties

PSA: 42.25000
LogP: 2.16588

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Customs Data

HS CODE：2934999090
Customs Data：

China Customs Code:
2934999090

Overview:

2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

Declaration elements:

Product Name, component content, use to

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-VN244-200mg	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0	97%	200mg	557.0CNY	2021-08-04
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-VN244-50mg	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0	97%	50mg	222.0CNY	2021-08-04
TRC	M191580-50mg	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0		50mg	$ 125.00	2022-06-04
TRC	M191580-100mg	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0		100mg	$ 210.00	2022-06-04
TRC	M191580-250mg	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0		250mg	$ 415.00	2022-06-04
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.	BD208906-100mg	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0	97%	100mg	￥31.0	2024-04-17
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.	BD208906-250mg	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0	97%	250mg	￥51.0	2024-04-17
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.	BD208906-1g	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0	97%	1g	￥201.0	2024-04-17
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	X51635-100mg	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0	97%	100mg	￥30.0	2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	X51635-250mg	4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile	863868-32-0	97%	250mg	￥49.0	2024-07-18

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Production Method

Production Method 1

25015-63-8

863868-32-0

863868-22-8

Reaction Conditions

1.1 Catalysts: Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium , 4,4′-Bis(1,1-dimethylethyl)-2,2′-bipyridine Solvents: Tetrahydrofuran ; 72 h, rt

Reference

Sterically Directed Functionalization of Aromatic C-H Bonds: Selective Borylation Ortho to Cyano Groups in Arenes and Heterocycles

Chotana, Ghayoor A.; et al, Journal of the American Chemical Society, 2005, 127(30), 10539-10544

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Raw materials

Pinacolborane

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Preparation Products

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Related Literature

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Related Categories

Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzonitriles

863868-32-0 (4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile) Related Products

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Cas no 863868-32-0 (4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Customs Data

China Customs Code:

Overview:

Declaration elements:

Summary:

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Pricemore >>

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Production Method

Production Method 1

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Raw materials

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Preparation Products

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Related Literature

Related Categories

863868-32-0 (4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile) Related Products