3-Methyl-2-naphthoic acid methyl ester

Base Information

• Chemical Name: 3-Methyl-2-naphthoic acid methyl ester
• CAS No.: 50915-65-6
• Molecular Formula: C₁₃H₁₂O₂
• Molecular Weight: 200.237
• DSSTox Substance ID: DTXSID601275636
• Nikkaji Number: J2.216.554B
• Mol file: 50915-65-6.mol

Synonyms:50915-65-6;3-Methyl-2-naphthoic acid methyl ester;Methyl 3-methyl-2-naphthoate;3-Methyl-naphthalene-2-carboxylic acid methyl ester;methyl 3-methylnaphthalene-2-carboxylate;3-Methyl-naphthalene-2-carboxylicacidmethylester;SCHEMBL8146829;DTXSID601275636;AMY17361;SB37422;Methyl 3-methyl-2-naphthalenecarboxylate

Chemical Property of 3-Methyl-2-naphthoic acid methyl ester

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=C2C=C1C(=O)OC

Technology Process of 3-Methyl-2-naphthoic acid methyl ester

There total 1 articles about 3-Methyl-2-naphthoic acid 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: 58.0%

dimethyl 2-[2-{1-(phenylsulfonyl)-1,2-propadienyl}phenyl]ethane-1,1-dicarboxylate (863717-85-5) → 1,2,3,4-tetrahydro-2-methylene-1-(phenylsulfonyl)naphthalene-3,3-dicarboxylate + 3,4-dihydro-2-methyl-1-(phenylsulfonyl)naphthalene-3,3-dicarboxylate + methyl 2-methyl-naphthalene-3-carboxylate (50915-65-6)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 20 ℃; for 0.333333h;

DOI:10.1021/jo050729w

Reference yield: 92.0%

methyl 2-methyl-naphthalene-3-carboxylate (50915-65-6) → 2-hydroxymethyl-3-methylnaphthalene (31554-16-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; for 13.5h;

DOI:10.1055/s-0034-1379014

Reference yield:

methyl 2-methyl-naphthalene-3-carboxylate (50915-65-6) → C21H18O5

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 11 h / Reflux; Inert atmosphere

2: potassium carbonate / N,N-dimethyl-formamide / 3 h / 20 °C

With N-Bromosuccinimide; potassium carbonate; dibenzoyl peroxide; In tetrachloromethane; N,N-dimethyl-formamide;

DOI:10.1002/anie.201707099

upstream raw materials:

dimethyl 2-[2-{1-(phenylsulfonyl)-1,2-propadienyl}phenyl]ethane-1,1-dicarboxylate

Downstream raw materials:

2-hydroxymethyl-3-methylnaphthalene