2-Methoxymethylphenylboronic acid

Base Information

• Chemical Name: 2-Methoxymethylphenylboronic acid
• CAS No.: 126617-98-9
• Molecular Formula: C8H11BO3
• Molecular Weight: 165.985
• Hs Code.: 2931900090
• European Community (EC) Number: 805-602-4
• DSSTox Substance ID: DTXSID00396031
• Nikkaji Number: J3.245.874B
• Wikidata: Q72490594
• Mol file: 126617-98-9.mol

Synonyms:126617-98-9;2-Methoxymethylphenylboronic acid;(2-(METHOXYMETHYL)PHENYL)BORONIC ACID;2-(Methoxymethyl)phenylboronic acid;2-Methoxymethylbenzeneboronic acid;[2-(methoxymethyl)phenyl]boronic Acid;2-Methoxymethylphebylboronic acid;2-(Methoxymethyl)benzeneboronic acid;Boronic acid, [2-(methoxymethyl)phenyl]-;MFCD03412110;2-Methoxymethyl phenylboronic acid;SCHEMBL520432;DTXSID00396031;2-methoxymethyl-phenylboronic acid;JHPPAFXQJZJGEP-UHFFFAOYSA-N;(2-methoxymethylphenyl)boronic acid;2-(Methoxymethyl)phenyl-boronic acid;AKOS004116556;AB14377;CS-W003051;PS-9419;SY004013;(2-(METHOXYMETHYL)PHENYL)BORONICACID;AM20020352;FT-0605398;2-methoxymethylphenylboronic acid, AldrichCPR;A21954;EN300-1259729;J-500527;Z821093346

Chemical Property of 2-Methoxymethylphenylboronic acid

Chemical Property:

• Vapor Pressure: 0.000269mmHg at 25°C
• Refractive Index: 1.518
• Boiling Point: 309.78 °C at 760 mmHg
• PKA: 8.50±0.58(Predicted)
• Flash Point: 141.15 °C
• PSA: 49.69000
• Density: 1.137 g/cm³
• LogP: -0.48720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Slightly soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.0801244
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2-(Methoxymethyl)phenyl)boronicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1COC)(O)O
• Uses: 2-(Methoxymethyl)benzeneboronic acid used as a intermediate for pharmaceutical.

Technology Process of 2-Methoxymethylphenylboronic acid

There total 3 articles about 2-Methoxymethylphenylboronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C12H19BO3 → (2-(methoxymethyl)phenyl)boronic acid (126617-98-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; hexane; water; Inert atmosphere;

DOI:10.1016/j.molstruc.2012.09.049

Reference yield:

1-bromo-2-(methoxymethyl)benzene (52711-30-5) → (2-(methoxymethyl)phenyl)boronic acid (126617-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / diethyl ether; hexane / 1 h / -65 °C / Inert atmosphere

1.2: 1 h / -65 °C / Inert atmosphere

2.1: hydrogenchloride / diethyl ether; hexane; water / Inert atmosphere

With hydrogenchloride; n-butyllithium; In diethyl ether; hexane; water;

DOI:10.1016/j.molstruc.2012.09.049

Reference yield:

o-bromobenzyl alcohol (18982-54-2) → (2-(methoxymethyl)phenyl)boronic acid (126617-98-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydride / mineral oil; tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

1.2: 1.75 h / 0 - 20 °C / Inert atmosphere

2.1: n-butyllithium / diethyl ether; hexane / 1 h / -65 °C / Inert atmosphere

2.2: 1 h / -65 °C / Inert atmosphere

3.1: hydrogenchloride / diethyl ether; hexane; water / Inert atmosphere

With hydrogenchloride; n-butyllithium; sodium hydride; In tetrahydrofuran; diethyl ether; hexane; water; mineral oil;

DOI:10.1016/j.molstruc.2012.09.049

upstream raw materials:

1-bromo-2-(methoxymethyl)benzene

o-bromobenzyl alcohol

Downstream raw materials:

1-[3-({4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl}amino)phenyl]methanesulfonamide

Refernces