3-Bromo-5-(hydroxymethyl)benzonitrile

Base Information

• Chemical Name: 3-Bromo-5-(hydroxymethyl)benzonitrile
• CAS No.: 1205515-06-5
• Molecular Formula: C8H6BrNO
• Molecular Weight: 212.046
• Hs Code.: 2926909090
• Mol file: 1205515-06-5.mol

Synonyms:3-BroMo-5-(hydroxyMethyl)benzonitrile

Chemical Property of 3-Bromo-5-(hydroxymethyl)benzonitrile

Chemical Property:

• Boiling Point: 325.4±27.0 °C(Predicted)
• PKA: 13.92±0.10(Predicted)
• PSA: 44.02000
• Density: 1.67±0.1 g/cm3(Predicted)
• LogP: 1.81308
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-5-(hydroxymethyl)-benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Bromo-5-(hydroxymethyl)-benzonitrile is used to prepare triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases.

Technology Process of 3-Bromo-5-(hydroxymethyl)benzonitrile

There total 1 articles about 3-Bromo-5-(hydroxymethyl)benzonitrile 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:

C10H8BrNO2 → 3-bromo-5-(hydroxymethyl)benzonitrile (1205515-06-5)

Guidance literature:

With ammonium hydroxide; In methanol; at 20 ℃; for 3h;

Reference yield: 91.0%

3-bromo-5-(hydroxymethyl)benzonitrile (1205515-06-5) → 3-bromo-5-formylbenzonitrile (644982-55-8)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h; Celite;

Reference yield:

3-bromo-5-(hydroxymethyl)benzonitrile (1205515-06-5) → methyl 2-(2-((3-(aminomethyl)-5-bromobenzyl)oxy)phenyl)acetate

Guidance literature:

Multi-step reaction with 2 steps

1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

2: cobalt(II) chloride hexahydrate; sodium tetrahydroborate / water; tetrahydrofuran / 2.5 h / 0 °C

With sodium tetrahydroborate; cobalt(II) chloride hexahydrate; di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; water;

Downstream raw materials:

3-bromo-5-formylbenzonitrile

Refernces