Cas no 885067-95-8 (3-(2-Cyanopropan-2-yl)phenylboronic acid)

3-(2-Cyanopropan-2-yl)phenylboronic acid is a boronic acid derivative featuring a cyano-substituted tertiary carbon adjacent to the phenyl ring. This structural motif enhances its stability and reactivity, making it a valuable intermediate in Suzuki-Miyaura cross-coupling reactions for constructing complex biaryl systems. The electron-withdrawing cyano group influences the boronic acid's electronic properties, potentially improving selectivity in catalytic transformations. Its crystalline solid form ensures ease of handling and storage under standard conditions. This compound is particularly useful in pharmaceutical and materials science research, where precise functionalization of aromatic frameworks is required. Its compatibility with diverse reaction conditions further underscores its utility in synthetic organic chemistry.

3-(2-Cyanopropan-2-yl)phenylboronic acid structure

885067-95-8 structure

Product Name:3-(2-Cyanopropan-2-yl)phenylboronic acid

CAS No:885067-95-8

MF:C₁₀H₁₂BNO₂

MW:189.018782615662

MDL:MFCD20441830

CID:1039166

PubChem ID:56776652

Update Time:2025-05-28

3-(2-Cyanopropan-2-yl)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

- (3-(2-Cyanopropan-2-yl)phenyl)boronic acid
- (3-boronophenyl)dimethylacetonitrile
- [3-(2-cyanopropan-2-yl)phenyl]boronic acid
- DTXSID40718334
- EN300-6185717
- BS-23970
- 3-(cyano-dimethyl-methyl)-phenyl boronic acid
- [3-(1-cyano-1-methylethyl)phenyl]boronic acid
- MFCD20441830
- SCHEMBL695600
- 885067-95-8
- 3-(2-Cyanopropan-2-yl)phenylboronic acid
- CS-0174186
- WHBIOYORDBEGAI-UHFFFAOYSA-N
- (3-(2-Cyanopropan-2-yl)phenyl)boronicacid
- 3-(1-Cyano-1-methylethyl)phenylboronic acid
- AKOS016000994
- G65949
- MDL： MFCD20441830
- Inchi： 1S/C10H12BNO2/c1-10(2,7-12)8-4-3-5-9(6-8)11(13)14/h3-6,13-14H,1-2H3
- InChI Key： WHBIOYORDBEGAI-UHFFFAOYSA-N
- SMILES： OB(C1=CC=CC(=C1)C(C#N)(C)C)O

Computed Properties

Exact Mass: 189.09600
Monoisotopic Mass: 189.0961088g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 14
Rotatable Bond Count: 2
Complexity: 244
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: 64.2?2

Experimental Properties

PSA: 64.25000
LogP: 0.16758

3-(2-Cyanopropan-2-yl)phenylboronic acid Pricemore >>

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