Cas no 849052-18-2 (3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid)
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid is a specialized boronic acid derivative used primarily as an intermediate in Suzuki-Miyaura cross-coupling reactions, a key methodology in organic synthesis for constructing biaryl frameworks. The presence of both bromo and boronic acid functional groups enhances its reactivity, enabling selective coupling with aryl halides or pseudohalides. The 4'-chlorobenzyloxy substituent provides steric and electronic modulation, improving selectivity in complex transformations. This compound is particularly valuable in pharmaceutical and materials science research, where precise control over molecular architecture is critical. Its stability under standard conditions and compatibility with diverse reaction environments make it a reliable building block for advanced synthetic applications.
849052-18-2 structure
Product Name:3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid
CAS No:849052-18-2
MF:C14H13BBrClO3
MW:355.419222593308
MDL:MFCD06411365
CID:716656
PubChem ID:24883381
Update Time:2025-06-07
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid Chemical and Physical Properties
Names and Identifiers
-
- (3-Bromo-2-((4-chlorobenzyl)oxy)-5-methylphenyl)boronic acid
- 3-BROMO-2-(4'-CHLOROBENZYLOXY)-5-METHYLPHENYLBORONIC ACID
- 3-Bromo-2-(4-chlorobenzyloxy)-5-methylphenylboronic acid
- Boronic acid,B-[3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-
- [3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylphenyl]boronic acid
- MFCD06411365
- AKOS015888499
- F75926
- (3-Bromo-2-((4-chlorobenzyl)oxy)-5-methylphenyl)boronicacid
- DTXSID60584578
- 3-BROMO-2-[(4-CHLOROPHENYL)METHOXY]-5-METHYLPHENYLBORONIC ACID
- {3-Bromo-2-[(4-chlorophenyl)methoxy]-5-methylphenyl}boronic acid
- BS-22500
- AB25279
- 849052-18-2
- 3-BROMO-2-(4'-CHLOROBENZYLOXY)-5-METHYL&
- 3-Bromo-2-(4''-chlorobenzyloxy)-5-methylphenylboronic Acid
- ZIB05218
- CS-0175792
- 3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid
-
- MDL： MFCD06411365
- Inchi： 1S/C14H13BBrClO3/c1-9-6-12(15(18)19)14(13(16)7-9)20-8-10-2-4-11(17)5-3-10/h2-7,18-19H,8H2,1H3
- InChI Key： DKUPKFVGBUWCOP-UHFFFAOYSA-N
- SMILES： BrC1=CC(C)=CC(B(O)O)=C1OCC1C=CC(=CC=1)Cl
Computed Properties
- Exact Mass: 353.98300
- Monoisotopic Mass: 353.98296g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 300
- 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
- Color/Form: No data available
- Density: Not available
- Melting Point: 120-125?°C (lit.)
- Boiling Point: Not available
- Flash Point: Not available
- PSA: 49.69000
- LogP: 2.66970
- Vapor Pressure: Not available
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335-H413
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid Customs Data
- HS CODE：2931900090
- Customs Data：
China Customs Code:
2931900090Overview:
2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff: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%
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 092104-250mg |
(3-Bromo-2-((4-chlorobenzyl)oxy)-5-methylphenyl)boronic acid, 95+% |
849052-18-2 | 95+% | 250mg |
$227.00 | 2023-09-10 | |
| Matrix Scientific | 092104-1g |
(3-Bromo-2-((4-chlorobenzyl)oxy)-5-methylphenyl)boronic acid, 95+% |
849052-18-2 | 95+% | 1g |
$504.00 | 2023-09-10 | |
| Fluorochem | 215664-250mg |
3-Bromo-2-((4-chlorobenzyl)oxy)-5-methylphenyl)boronic acid |
849052-18-2 | 95% | 250mg |
￡82.00 | 2022-03-01 | |
| Fluorochem | 215664-1g |
3-Bromo-2-((4-chlorobenzyl)oxy)-5-methylphenyl)boronic acid |
849052-18-2 | 95% | 1g |
￡236.00 | 2022-03-01 | |
| TRC | B683523-25mg |
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid |
849052-18-2 | 25mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B683523-50mg |
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid |
849052-18-2 | 50mg |
$ 69.00 | 2023-04-18 | ||
| TRC | B683523-100mg |
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid |
849052-18-2 | 100mg |
$ 98.00 | 2023-04-18 | ||
| TRC | B683523-250mg |
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid |
849052-18-2 | 250mg |
$ 167.00 | 2023-04-18 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B919997-250mg |
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid |
849052-18-2 | 97% | 250mg |
￥4,536.00 | 2022-09-02 | |
| abcr | AB271537-250 mg |
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid; 97% |
849052-18-2 | 250mg |
€152.50 | 2023-04-26 |
3-Bromo-2-(4'-chlorobenzyloxy)-5-methylphenylboronic acid Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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