alpha-Methyl-1-naphthaleneacetic acid

Base Information

• Chemical Name: alpha-Methyl-1-naphthaleneacetic acid
• CAS No.: 3117-51-9
• Molecular Formula: C₁₃H₁₂O₂
• Molecular Weight: 200.237
• European Community (EC) Number: 859-396-6
• DSSTox Substance ID: DTXSID30953257
• Nikkaji Number: J651.567C
• Mol file: 3117-51-9.mol

Synonyms:3117-51-9;alpha-Methyl-1-naphthaleneacetic acid;2-(naphthalen-1-yl)propanoic acid;a-Methyl-1-naphthaleneacetic acid;2-naphthalen-1-ylpropanoic acid;1-Naphthaleneacetic acid, alpha-methyl-;2-Naphthylpropionic acid;naphthylpropionic acid;1-naphthylpropanoic acid;N,N-dimethylfuran-3-amine;Oprea1_483759;SCHEMBL448107;2-(1-naphthyl)propionic acid;2-(1-Naphthyl)propanoic acid;a-Methyl-1-naphthaleneaceticacid;DTXSID30953257;2-(1-Naphthyl)propanoic acid #;MFCD02066245;AKOS010488650;CS-0223073;F79152;EN300-1137987;F9994-5419

Chemical Property of alpha-Methyl-1-naphthaleneacetic acid

Chemical Property:

• Vapor Pressure: 4.75E-06mmHg at 25°C
• Boiling Point: 367.5°Cat760mmHg
• Flash Point: 264.5°C
• Density: 1.19g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of alpha-Methyl-1-naphthaleneacetic acid

There total 2 articles about alpha-Methyl-1-naphthaleneacetic 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:

carbon dioxide (124-38-9,18923-20-1) + 4,4,5,5-tetramethyl-2-(1-(naphthalen-1-yl)ethyl)-1,3,2-dioxaborolane (1402034-43-8) → 1-ethylnapthelene (1127-76-0) + 2-(naphthalen-1-yl)propanoic acid (19950-47-1,22561-77-9,24252-61-7,3117-51-9)

Guidance literature:

carbon dioxide; 4,4,5,5-tetramethyl-2-(1-(naphthalen-1-yl)ethyl)-1,3,2-dioxaborolane; With potassium tert-butylate; In diethyl ether; at -45 ℃; under 760.051 Torr;

With hydrogenchloride; In diethyl ether; water;

DOI:10.1002/chem.201200642

Reference yield:

1-vinylnaphthalene (826-74-4,29793-40-6) → 1-ethylnapthelene (1127-76-0) + 2-(naphthalen-1-yl)propanoic acid (19950-47-1,22561-77-9,24252-61-7,3117-51-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: copper(l) chloride; sodium t-butanolate / tetrahydrofuran / 0.17 h / 20 °C

1.2: 20 - 65 °C

2.1: potassium tert-butylate / diethyl ether / -45 °C / 760.05 Torr

With potassium tert-butylate; copper(l) chloride; sodium t-butanolate; In tetrahydrofuran; diethyl ether;

DOI:10.1002/chem.201200642

Reference yield: 60.0%

2-Fluoroaniline (348-54-9) + 2-(naphthalen-1-yl)propanoic acid (19950-47-1,22561-77-9,24252-61-7,3117-51-9) → N-(2-fluorphenyl)-2-naphth-1-ylpropanamide

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; at 0 - 20 ℃;

DOI:10.1002/cmdc.202000548

upstream raw materials:

carbon dioxide

4,4,5,5-tetramethyl-2-(1-(naphthalen-1-yl)ethyl)-1,3,2-dioxaborolane

1-vinylnaphthalene

Downstream raw materials:

2-(naphthalen-1-yl)-1-phenyl-propan-1-one

1-cyano-2-methylacenaphthylene

1-Methoxy-2-(1-naphthyl)-1-phenyl-propen

N-(2-bromophenyl)-N-methyl-2-(naphthalen-1-yl)propanamide

Refernces