3,4-Dimethoxyphenylboronic Acid - CAS 122775-35-3
Catalog: |
BB005516 |
Product Name: |
3,4-Dimethoxyphenylboronic Acid |
CAS: |
122775-35-3 |
Synonyms: |
(3,4-dimethoxyphenyl)boronic acid; (3,4-dimethoxyphenyl)boronic acid |
IUPAC Name: | (3,4-dimethoxyphenyl)boronic acid |
Description: | 3,4-Dimethoxyphenylboronic acid can be used: As a substrate in the cross-coupling reaction with 5,7-dichloropyrido[4,3-d]pyrimidine catalyzed by palladium; As a starting material for the synthesis of buflavine 1, a natural alkaloid; In one of the key synthetic steps for the preparation of lipidated malarial glycosylphosphatidylinositols (GPI) disaccharide; To prepare 3,3″,4,4″-tetramethoxy-1,1'4',1″-terphenyl by reacting with 1,4-dibromobenzene using Pd catalyst. |
Molecular Weight: | 181.98 |
Molecular Formula: | C8H11O4B |
Canonical SMILES: | B(C1=CC(=C(C=C1)OC)OC)(O)O |
InChI: | InChI=1S/C8H11BO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5,10-11H,1-2H3 |
InChI Key: | RCVDPBFUMYUKPB-UHFFFAOYSA-N |
Boiling Point: | 336.7 °C at 760 mmHg |
Melting Point: | 245-250 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.19 g/cm3 |
MDL: | MFCD01074574 |
LogP: | -0.61640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264937-A | 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof | 20210608 |
CN-113121529-A | Biphenyl benzimidazole azasugar derivative and synthesis method and application thereof | 20210318 |
CN-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 20201216 |
CN-112479831-A | Metal organic framework material based on twisted hexabenzocoronene and preparation method and application thereof | 20201126 |
CN-112480160-A | Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative | 20201020 |
PMID | Publication Date | Title | Journal |
22590202 | 20120501 | 3,4-Dimeth-oxy-4'-nitro-1,1'-biphen-yl | Acta crystallographica. Section E, Structure reports online |
22606086 | 20120401 | 3',4'-Dimeth-oxy-biphenyl-4-carbonitrile | Acta crystallographica. Section E, Structure reports online |
22090943 | 20110801 | 3,3'',4,4''-Tetra-meth-oxy-1,1':4',1''-terphen-yl | Acta crystallographica. Section E, Structure reports online |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0750390 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0750390 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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