Cas no 958451-72-4 (4-Difluoromethoxy-3-methyl-benzeneboronic acid)
4-Difluoromethoxy-3-methyl-benzeneboronic acid is a boronic acid derivative commonly employed as a key intermediate in Suzuki-Miyaura cross-coupling reactions, facilitating the synthesis of biaryl compounds. The presence of the difluoromethoxy group enhances its stability and reactivity, while the methyl substituent contributes to steric and electronic modulation. This compound is particularly valuable in pharmaceutical and agrochemical research, where precise functionalization of aromatic systems is required. Its high purity and consistent performance make it a reliable reagent for constructing complex molecular architectures. Proper handling under inert conditions is recommended to preserve its reactivity.
958451-72-4 structure
Product Name:4-Difluoromethoxy-3-methyl-benzeneboronic acid
CAS No:958451-72-4
MF:C8H9BF2O3
MW:201.963069677353
MDL:MFCD11036079
CID:1001679
PubChem ID:45158718
Update Time:2025-05-26
4-Difluoromethoxy-3-methyl-benzeneboronic acid Chemical and Physical Properties
Names and Identifiers
-
- [4-(difluoromethoxy)-3-methylphenyl]boronic acid
- 4-difluoromethoxy-3-methyl-benzeneboronic acid
- MFCD11036079
- (4-(Difluoromethoxy)-3-methylphenyl)boronic acid
- AT12845
- BS-33403
- HNSXGLPRKOFDNV-UHFFFAOYSA-N
- 958451-72-4
- (4-(Difluoromethoxy)-3-methylphenyl)boronicacid
- SCHEMBL15968820
- DTXSID00669676
- EN300-5296598
- AKOS012519633
- CS-0175828
- DB-218890
- 4-(DIFLUOROMETHOXY)-3-METHYLPHENYLBORONIC ACID
- 4-Difluoromethoxy-3-methyl-benzeneboronic acid
-
- MDL： MFCD11036079
- Inchi： 1S/C8H9BF2O3/c1-5-4-6(9(12)13)2-3-7(5)14-8(10)11/h2-4,8,12-13H,1H3
- InChI Key： HNSXGLPRKOFDNV-UHFFFAOYSA-N
- SMILES： FC(OC1C=CC(B(O)O)=CC=1C)F
Computed Properties
- Exact Mass: 202.06100
- Monoisotopic Mass: 202.0612806g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 180
- 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: 49.7?2
Experimental Properties
- PSA: 49.69000
- LogP: 0.27620
4-Difluoromethoxy-3-methyl-benzeneboronic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D447528-100mg |
4-Difluoromethoxy-3-methyl-benzeneboronic acid |
958451-72-4 | 100mg |
$207.00 | 2023-05-18 | ||
| TRC | D447528-250mg |
4-Difluoromethoxy-3-methyl-benzeneboronic acid |
958451-72-4 | 250mg |
$425.00 | 2023-05-18 | ||
| TRC | D447528-500mg |
4-Difluoromethoxy-3-methyl-benzeneboronic acid |
958451-72-4 | 500mg |
$661.00 | 2023-05-18 | ||
| TRC | D447528-1g |
4-Difluoromethoxy-3-methyl-benzeneboronic acid |
958451-72-4 | 1g |
$ 770.00 | 2022-06-05 | ||
| Apollo Scientific | PC901653-1g |
4-Difluoromethoxy-3-methyl-benzeneboronic acid |
958451-72-4 | 98% | 1g |
￡176.00 | 2025-02-22 | |
| abcr | AB359824-250 mg |
4-Difluoromethoxy-3-methyl-benzeneboronic acid, 95%; . |
958451-72-4 | 95% | 250mg |
€204.20 | 2023-06-20 | |
| abcr | AB359824-1 g |
4-Difluoromethoxy-3-methyl-benzeneboronic acid, 95%; . |
958451-72-4 | 95% | 1g |
€304.50 | 2023-06-20 | |
| A2B Chem LLC | AI64844-250mg |
4-Difluoromethoxy-3-methyl-benzeneboronic acid |
958451-72-4 | 95% | 250mg |
$115.00 | 2023-12-29 | |
| A2B Chem LLC | AI64844-1g |
4-Difluoromethoxy-3-methyl-benzeneboronic acid |
958451-72-4 | 98% | 1g |
$165.00 | 2024-07-18 | |
| A2B Chem LLC | AI64844-5g |
4-Difluoromethoxy-3-methyl-benzeneboronic acid |
958451-72-4 | 98% | 5g |
$467.00 | 2024-07-18 |
4-Difluoromethoxy-3-methyl-benzeneboronic acid Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
958451-72-4 (4-Difluoromethoxy-3-methyl-benzeneboronic acid) Related Products
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- 850568-08-0(4-Ethoxy-3-methylphenylboronic acid)
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- 850568-59-1(3,5-Dimethyl-4-ethoxyphenylboronic acid)
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