3-Methyl-2-naphthoic acid

Base Information

• Chemical Name: 3-Methyl-2-naphthoic acid
• CAS No.: 39110-32-2
• Molecular Formula: C12H10O2
• Molecular Weight: 186.21
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID40600821
• Nikkaji Number: J3.552.667F
• Wikidata: Q82497102
• Mol file: 39110-32-2.mol

Synonyms:3-methyl-2-naphthoic acid;39110-32-2;2-Methylnaphthalene-3-carboxylic acid;3-methylnaphthalene-2-carboxylic acid;3-methyl-naphthalene-2-carboxylic acid;2-Naphthalenecarboxylic acid, 3-methyl-;3-methyl-2-naphthoicacid;SCHEMBL2778964;DTXSID40600821;JFBYGMUJXBUWEO-UHFFFAOYSA-N;AMY17235;AT24781;SB36988;BS-49696;DB-083691;CS-0452011;EN300-133615;Z1255431362

Chemical Property of 3-Methyl-2-naphthoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.84640
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.068079557
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-naphthalene-2-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-2-naphthoic acid

There total 8 articles about 3-Methyl-2-naphthoic 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: 92.0%

trimethylaluminum (75-24-1) + naphthalene-2-carboxylate (93-09-4) → 3-hydroxynaphthalene-2-carboxylic acid (39110-32-2)

Guidance literature:

trimethylaluminum; naphthalene-2-carboxylate; With iron(III)-acetylacetonate; 4-(bis(2-(diphenylphosphanyl)phenyl)phosphanyl)-N,N-dimethylaniline; In tetrahydrofuran; 1,2-dimethoxyethane; toluene; at 20 ℃; Inert atmosphere; Schlenk technique;

With 2,3-dichlorobutane; In tetrahydrofuran; 1,2-dimethoxyethane; toluene; at 70 ℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.6b06908

Reference yield: 77.0%

bis(trimethylaluminium)-1,4-diazabicyclo[2.2.2]octane adduct + naphthalene-2-carboxylate (93-09-4) → 3-hydroxynaphthalene-2-carboxylic acid (39110-32-2)

Guidance literature:

bis(trimethylaluminium)-1,4-diazabicyclo[2.2.2]octane adduct; naphthalene-2-carboxylate; With iron(III)-acetylacetonate; 4-(bis(2-(diphenylphosphanyl)phenyl)phosphanyl)-N,N-dimethylaniline; In tetrahydrofuran; 1,2-dimethoxyethane; toluene; at 20 ℃; Inert atmosphere; Schlenk technique;

With 2,3-dichlorobutane; In tetrahydrofuran; 1,2-dimethoxyethane; toluene; at 70 ℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.6b06908

Reference yield:

2,3-dimethylnaphthalene (581-40-8) → 3-hydroxynaphthalene-2-carboxylic acid (39110-32-2) + 3-methyl-2-naphthaldehyde (17893-94-6) + 2,3-dimethyl[1,4]naphthoquinone (2197-57-1)

Guidance literature:

With 9,10-Dicyanoanthracene; oxygen; In acetonitrile; Irradiation;

DOI:10.1016/S0040-4039(01)81182-5

upstream raw materials:

3-methyl-5,6,7,8-tetrahydro-[2]naphthoic acid methyl ester

2,3-dimethylnaphthalene

ethyl 3-methyl-2-naphthalenecarboxylate

3-methyl-2-naphthaldehyde

Downstream raw materials:

3-Methyl-naphthalene-2-carbonyl chloride

2-hydroxymethyl-3-methylnaphthalene

3-methylnaphthalene-2-amine

2-Methylnaphthalene