1-Bromo-3-methoxynaphthalene

Base Information

• Chemical Name: 1-Bromo-3-methoxynaphthalene
• CAS No.: 5111-34-2
• Molecular Formula: C11H9BrO
• Molecular Weight: 237.096
• European Community (EC) Number: 862-635-7
• Mol file: 5111-34-2.mol

Synonyms:1-bromo-3-methoxynaphthalene;5111-34-2;Naphthalene, 1-bromo-3-methoxy-;MFCD18410560;1-bromo-3-methoxy-naphthalene;SCHEMBL5782272;SB66941;SY244742;CS-0105422;FT-0723651;N11775;EN300-5572721;10.14272/GPVSVDNPAVXAQT-UHFFFAOYSA-N.1;A900935;doi:10.14272/GPVSVDNPAVXAQT-UHFFFAOYSA-N.1

Chemical Property of 1-Bromo-3-methoxynaphthalene

Chemical Property:

• Boiling Point: 317.2±15.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.447±0.06 g/cm3(Predicted)
• LogP: 3.61090
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 235.98368
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

>97% ^*data from raw suppliers

1-Bromo-3-methoxynaphthalene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=CC=CC=C2C(=C1)Br

Technology Process of 1-Bromo-3-methoxynaphthalene

There total 1 articles about 1-Bromo-3-methoxynaphthalene 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: 32.0%

1,3-dibromonaphthalene (52358-73-3) + sodium methylate (124-41-4) → 1-bromo-3-methoxy-naphthalene (5111-34-2) + 1,3-dimethoxynaphthalene (10075-61-3) + 1-methoxy-3-bromonaphthalene

Guidance literature:

With copper(l) iodide; In methanol; N,N-dimethyl-formamide; at 100 ℃; for 5h;

Reference yield: 85.0%

3-aminobenzoic acid ethyl ester (582-33-2) + 1-bromo-3-methoxy-naphthalene (5111-34-2) → ethyl 3-(3-methoxy-1-naphthylamino)benzoate (2374831-10-2)

Guidance literature:

With palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; at 80 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b00632

Reference yield: 71.0%

1-bromo-3-methoxy-naphthalene (5111-34-2) + 2-ethoxycarbonylaniline (87-25-2) → ethyl 2-(3-methoxy-1-naphthylamino)benzoate

Guidance literature:

With palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; at 80 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b00632

upstream raw materials:

1,3-dibromonaphthalene

sodium methylate

Downstream raw materials:

1-cyano-3-methoxynaphthalene

3-methoxy-1-naphthoic acid

(3- methoxynaphthalen- 1-yl)boronic acid

3-methoxy-1-naphthylmethyl phenylacetate

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