Cas no 950846-26-1 ((4-Bromo-2,5-dimethoxyphenyl)boronic acid)

(4-Bromo-2,5-dimethoxyphenyl)boronic acid structure
950846-26-1 structure
Product Name:(4-Bromo-2,5-dimethoxyphenyl)boronic acid
CAS No:950846-26-1
MF:C8H10BBrO4
MW:260.877602100372
MDL:MFCD07778019
CID:1040231
Update Time:2024-10-25

(4-Bromo-2,5-dimethoxyphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Bromo-2,5-dimethoxyphenyl)boronic acid
    • 4-BROMO-2,5-DIMETHOXYPHENYLBORONIC ACID
    • B-(4-Bromo-2,5-dimethoxyphenyl)boronic acid (ACI)
    • (4-Bromo-2,5-dimethoxyphenyl)boronicacid
    • MDL: MFCD07778019
    • Inchi: 1S/C8H10BBrO4/c1-13-7-4-6(10)8(14-2)3-5(7)9(11)12/h3-4,11-12H,1-2H3
    • InChI Key: VFSKPPVNGHKIFE-UHFFFAOYSA-N
    • SMILES: BrC1C(OC)=CC(B(O)O)=C(OC)C=1

Computed Properties

  • Exact Mass: 259.98600
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3

Experimental Properties

  • PSA: 58.92000
  • LogP: 0.14610

(4-Bromo-2,5-dimethoxyphenyl)boronic acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    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%

(4-Bromo-2,5-dimethoxyphenyl)boronic acid Pricemore >>

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(4-Bromo-2,5-dimethoxyphenyl)boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  -78 °C; 20 min, -78 °C
1.2 Reagents: Triisopropyl borate ;  -78 °C; -78 °C → rt; 20 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
5-HT2A AGONISTS FOR USE IN TREATMENT OF DEPRESSION
, United States, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Cyclohexane ;  -78 °C; 1 h, -78 °C
1.2 Reagents: Trimethyl borate ;  -78 °C; -78 °C → rt
1.3 Reagents: Monopotassium phosphate Solvents: Water ;  pH 6
Reference
2-Amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine derivatives as HSP-90 inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  -78 °C
1.2 Reagents: Trimethyl borate Solvents: Tetrahydrofuran ;  rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
Synthesis of penta-p-phenylenes with oligo(ethylene glycol) side chains
Lopez-Romero, J. Manuel; Rico, Rodrigo; Martinez-Mallorquin, Rocio; Hierrezuelo, Jesus; Guillen, Elena; et al, Tetrahedron Letters, 2007, 48(35), 6075-6079

Production Method 4

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  20 min, -78 °C
1.2 Reagents: Triisopropyl borate ;  24 h, -78 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  20 min, rt
Reference
Aryl Trihydroxyborate Salts: Thermally Unstable Species with Unusual Gelation Abilities
Moy, Cheryl L.; Kaliappan, Raja; McNeil, Anne J., Journal of Organic Chemistry, 2011, 76(20), 8501-8507

Production Method 5

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  -60 °C; 1 d, rt
1.2 Reagents: Triisopropyl borate ;  2 d, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  0 °C
Reference
Side functionalization of diboronic acid precursors for covalent organic frameworks
Faury, Thomas; Dumur, Frederic; Clair, Sylvain; Abel, Mathieu; Porte, Louis; et al, CrystEngComm, 2013, 15(11), 2067-2075

(4-Bromo-2,5-dimethoxyphenyl)boronic acid Raw materials

(4-Bromo-2,5-dimethoxyphenyl)boronic acid Preparation Products

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