Methyl 2-bromomethyl-1-naphthoate

Base Information

• Chemical Name: Methyl 2-bromomethyl-1-naphthoate
• CAS No.: 2417-76-7
• Molecular Formula: C13H11BrO2
• Molecular Weight: 279.133
• DSSTox Substance ID: DTXSID70465900
• Nikkaji Number: J1.521.838J
• Wikidata: Q82292198
• Mol file: 2417-76-7.mol

Synonyms:2417-76-7;methyl 2-bromomethyl-1-naphthoate;Methyl 2-(bromomethyl)naphthalene-1-carboxylate;1-Naphthalenecarboxylic acid, 2-(bromomethyl)-, methyl ester;SCHEMBL1648632;DTXSID70465900;JGCXTRIWQMEUTH-UHFFFAOYSA-N;methyl 2-(bromomethyl)-1-naphthoate;methyl 2-bromomethylnaphthalene-1-carboxylate

Chemical Property of Methyl 2-bromomethyl-1-naphthoate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 277.99424
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC2=CC=CC=C21)CBr

Technology Process of Methyl 2-bromomethyl-1-naphthoate

There total 1 articles about Methyl 2-bromomethyl-1-naphthoate 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:

1-methoxycarbonyl-2-methylnaphthalene (56020-58-7) → 3(1H)-benzoisobenzofuranone (5657-01-2) + 1-methoxycarbonyl-2-(bromomethyl)naphthalene (2417-76-7)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; Heating;

DOI:10.1021/jo00170a001

Reference yield: 29.0%

1-methoxycarbonyl-2-(bromomethyl)naphthalene (2417-76-7) + 4-chloro-4'-(methylsulfonyl)-1,1'-biphenyl → 2-[2-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]ethyl]-1-naphthalenecarboxylic acid methyl ester (279245-99-7)

Guidance literature:

4-chloro-4'-(methylsulfonyl)-1,1'-biphenyl; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.25h;

1-methoxycarbonyl-2-(bromomethyl)naphthalene; In tetrahydrofuran; at 20 ℃; for 16h; Further stages.;

DOI:10.1021/jm020160g

Reference yield:

1-methoxycarbonyl-2-(bromomethyl)naphthalene (2417-76-7) + sodium benzenesulfonate (873-55-2) → methyl 2-(benzenesulphonylmethyl)naphthalene-1-carboxylate (1286180-72-0)

Guidance literature:

With sodium hydrogencarbonate; In ISOPROPYLAMIDE; at 20 ℃; for 18h;

upstream raw materials:

1-methoxycarbonyl-2-methylnaphthalene

Downstream raw materials:

3(1H)-benzoisobenzofuranone

2-[2-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]ethyl]-1-naphthalenecarboxylic acid methyl ester

2-[2-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]ethyl]-1-naphthalenecarboxylic acid

methyl 2-(benzenesulphonylmethyl)naphthalene-1-carboxylate