Methyl 4-(bromomethyl)-1-naphthoate

Base Information

• Chemical Name: Methyl 4-(bromomethyl)-1-naphthoate
• CAS No.: 2417-75-6
• Molecular Formula: C13H11BrO2
• Molecular Weight: 279.12900
• DSSTox Substance ID: DTXSID101185757
• Mol file: 2417-75-6.mol

Synonyms:METHYL 4-(BROMOMETHYL)-1-NAPHTHOATE;2417-75-6;Methyl 4-(bromomethyl)naphthalene-1-carboxylate;methyl 4-bromomethylnaphthalene-1-carboxylate;methyl 4-(bromomethyl)-1-naphthalenecarboxylate;Methyl 4-bromomethyl-1-naphthalene Carboxylate;SCHEMBL870191;NZZLGVIQLWHWCI-UHFFFAOYSA-N;DTXSID101185757;MFCD18414905;SY250995;METHYL4-(BROMOMETHYL)-1-NAPHTHOATE;CS-0450051;4-Bromomethyl-naphthalene-1-carboxylic acid methyl ester;1-Naphthalenecarboxylic acid, 4-(bromomethyl)-, methyl ester

Chemical Property of Methyl 4-(bromomethyl)-1-naphthoate

Chemical Property:

• PSA: 26.30000
• LogP: 3.52130
• 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:

97% ^*data from raw suppliers

Methyl4-(bromomethyl)-1-naphthoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C2=CC=CC=C21)CBr

Technology Process of Methyl 4-(bromomethyl)-1-naphthoate

There total 12 articles about Methyl 4-(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: 90.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 4-(bromomethyl)-naphthalene-1-carboxylic acid (30236-02-3) → methyl 4-bromomethylnaphthalene-1-carboxylate (2417-75-6)

Guidance literature:

In diethyl ether;

Reference yield: 89.3%

methyl 4-methyl-1-naphthalenecarboxylate (35615-98-6) → methyl 4-bromomethylnaphthalene-1-carboxylate (2417-75-6)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In acetonitrile; at 50 - 60 ℃; for 3h;

Reference yield: 86.0%

→ methyl 4-bromomethylnaphthalene-1-carboxylate (2417-75-6)

Guidance literature:

upstream raw materials:

methyl 4-methyl-1-naphthalenecarboxylate

diazomethane

4-(bromomethyl)-naphthalene-1-carboxylic acid

1-acetyl-4-methylnaphthalene

Downstream raw materials:

methyl 4-methyl-1-naphthalenecarboxylate

(Z)-4-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-(isopropoxyimino)ethyl)-1-naphthamide

(E)-4-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-(isopropoxyimino)ethyl)-1-naphthamide