2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester

Base Information

• Chemical Name: 2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester
• CAS No.: 89555-39-5
• Molecular Formula: C12H9BrO2
• Molecular Weight: 265.106
• DSSTox Substance ID: DTXSID70449341
• Nikkaji Number: J2.244.500F
• Wikidata: Q82268768
• Mol file: 89555-39-5.mol

Synonyms:89555-39-5;2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester;methyl 1-bromo-2-naphthoate;Methyl 1-bromonaphthalene-2-carboxylate;1-Bromonaphthalene-2-carboxylic acid methyl ester;methyl1-bromo-2-naphthoate;SCHEMBL2606588;DTXSID70449341;DAUCSGSCDZOKLE-UHFFFAOYSA-N;MFCD06203695;AKOS037646499;1-Bromo-2-naphthoic acid methyl ester;AS-69190;CS-0310642;FT-0736816;2-Naphthalenecarboxylicacid,1-bromo-,methylester;EN300-3292010;1-Bromo-2-naphthalenecarboxylic acid methyl ester;1-Bromo-naphthalene-2-carboxylic acid methyl ester;A928379

Chemical Property of 2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester

Chemical Property:

• Melting Point: 60℃
• Boiling Point: 350.7±15.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.492±0.06 g/cm3(Predicted)
• LogP: 3.38890
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.97859
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

99%min ^*data from raw suppliers

Methyl1-bromonaphthalene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C2=CC=CC=C2C=C1)Br
• Uses: 2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester is a useful research chemical.

Technology Process of 2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester

There total 11 articles about 2-Naphthalenecarboxylic acid, 1-bromo-, methyl ester 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: 100.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1-bromo-2-naphthoic acid (20717-79-7) → methyl 1-bromo-2-naphthalenecarboxylate (89555-39-5)

Guidance literature:

In diethyl ether;

DOI:10.1021/ja00050a011

Reference yield: 100.0%

1-bromo-2-naphthoic acid (20717-79-7) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 1-bromo-2-naphthalenecarboxylate (89555-39-5)

Guidance literature:

In methanol; diethyl ether; toluene; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201209582

Reference yield: 98.0%

methanol (67-56-1) + 1-bromo-2-naphthoic acid (20717-79-7) → methyl 1-bromo-2-naphthalenecarboxylate (89555-39-5)

Guidance literature:

With sulfuric acid; for 5h; Reflux;

DOI:10.1002/ejoc.201801884

upstream raw materials:

methanol

1-bromo-2-naphthoic acid

diazomethane

1-bromo-2-naphthoyl chloride

Downstream raw materials:

1-(2-methoxycarbonyl-phenyl)-[2]naphthoic acid methyl ester

[1,1']binaphthyl-2,2'-dicarboxylic acid dimethyl ester

methyl 1-[2-(2-methoxycarbonylphenyl)-1-ethynyl]-2-naphthoate

1,1'-binaphthyl-2,2'-dicarboxylic acid

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