Methyl(naphthalen-1-ylmethyl)propanedioic acid

Base Information

• Chemical Name: Methyl(naphthalen-1-ylmethyl)propanedioic acid
• CAS No.: 4512-61-2
• Molecular Formula: C15H14O4
• Molecular Weight: 258.2693
• NSC Number: 21001
• DSSTox Substance ID: DTXSID60281252
• Wikidata: Q82015097
• Mol file: 4512-61-2.mol

Synonyms:4512-61-2;methyl(naphthalen-1-ylmethyl)propanedioic acid;NSC21001;SCHEMBL7824528;DTXSID60281252;NSC-21001;2-methyl-2-naphthalenylmethyl-malonic acid

Chemical Property of Methyl(naphthalen-1-ylmethyl)propanedioic acid

Chemical Property:

• Vapor Pressure: 8.34E-10mmHg at 25°C
• Boiling Point: 474.4°Cat760mmHg
• Flash Point: 254.8°C
• Density: 1.323g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 258.08920892
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=CC2=CC=CC=C21)(C(=O)O)C(=O)O

Technology Process of Methyl(naphthalen-1-ylmethyl)propanedioic acid

There total 3 articles about Methyl(naphthalen-1-ylmethyl)propanedioic acid 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:

→ Methyl-<1-naphthyl-methyl>-malonsaeure (4512-61-2)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01876a039

Reference yield:

diethyl methyl[(1-naphthyl)methyl]malonate (4512-62-3) → Methyl-<1-naphthyl-methyl>-malonsaeure (4512-61-2)

Guidance literature:

With potassium hydroxide; In methanol;

Reference yield:

1-Chloromethylnaphthalene (86-52-2) → Methyl-<1-naphthyl-methyl>-malonsaeure (4512-61-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaOEt, EtOH, (ii) /BRN= 636885/

2: KOH / methanol

With potassium hydroxide; In methanol;

upstream raw materials:

diethyl methyl[(1-naphthyl)methyl]malonate

1-Chloromethylnaphthalene