3-Bromo-7-hydroxy-1-naphthonitrile

Base Information

• Chemical Name: 3-Bromo-7-hydroxy-1-naphthonitrile
• CAS No.: 550998-30-6
• Molecular Formula: C11H6BrNO
• Molecular Weight: 248.07544
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90462355
• Wikidata: Q82286877
• Mol file: 550998-30-6.mol

Synonyms:3-BROMO-7-HYDROXY-1-NAPHTHONITRILE;550998-30-6;3-bromo-7-hydroxy-naphthalene-1-carbonitrile;3-BROMO-7-HYDROXYNAPHTHALENE-1-CARBONITRILE;SCHEMBL5981297;DTXSID90462355;RGAMVVJGWSZBFJ-UHFFFAOYSA-N;P16720;A849747;A1-30090

Chemical Property of 3-Bromo-7-hydroxy-1-naphthonitrile

Chemical Property:

• Boiling Point: 412.1±25.0 °C(Predicted)
• PKA: 8.06±0.40(Predicted)
• PSA: 44.02000
• Density: 1.71±0.1 g/cm3(Predicted)
• LogP: 3.17958
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 246.96328
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

3-BROMO-7-HYDROXY-1-NAPHTHONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C(C=C(C=C21)Br)C#N)O

Technology Process of 3-Bromo-7-hydroxy-1-naphthonitrile

There total 5 articles about 3-Bromo-7-hydroxy-1-naphthonitrile 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:

7-hydroxy-1-cyanonaphthalene (19307-13-2) → 3-bromo-7-hydroxy-1-cyanonaphthalene (550998-30-6)

Guidance literature:

7-hydroxy-1-cyanonaphthalene; With bromine; acetic acid; at 100 ℃; for 6h;

With hydrogenchloride; tin(ll) chloride; at 100 ℃; for 1h;

DOI:10.1021/jm058173s

Reference yield:

7-Methoxy-1-tetralone (6836-19-7) → 3-bromo-7-hydroxy-1-cyanonaphthalene (550998-30-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: ZnI₂ / benzene / 20 °C

1.2: POCl₃; pyridine / benzene / 6 h / Heating

2.1: p-cymene / Pd/C / Heating

3.1: 0.88 g / C₆H₅N*HCl / 2 h / 190 °C

4.1: Br₂; acetic acid / 6 h / 100 °C

4.2: aq. HCl; SnCl₂ / 1 h / 100 °C

With 4-methylisopropylbenzene; C₆H₅N*HCl; bromine; acetic acid; zinc(II) iodide; palladium on activated charcoal; In benzene;

DOI:10.1021/jm058173s

Reference yield:

7-methoxy-3,4-dihydronaphthalene-1-carbonitrile (158365-53-8) → 3-bromo-7-hydroxy-1-cyanonaphthalene (550998-30-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: p-cymene / Pd/C / Heating

2.1: 0.88 g / C₆H₅N*HCl / 2 h / 190 °C

3.1: Br₂; acetic acid / 6 h / 100 °C

3.2: aq. HCl; SnCl₂ / 1 h / 100 °C

With 4-methylisopropylbenzene; C₆H₅N*HCl; bromine; acetic acid; palladium on activated charcoal;

DOI:10.1021/jm058173s

upstream raw materials:

7-hydroxy-1-cyanonaphthalene

7-Methoxy-1-tetralone

1-cyano-7-methoxynaphthalene

7-methoxy-3,4-dihydronaphthalene-1-carbonitrile

Downstream raw materials:

7-hydroxy-3-(4-methoxyphenyl)-1-naphthonitrile

3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-1-naphthonitrile

3-bromo-7-methoxy-1-naphthonitrile

3-bromo-8-fluoro-7-methoxy-1-naphthonitrile