4-Methyl-1-naphthoic acid

Base Information

• Chemical Name: 4-Methyl-1-naphthoic acid
• CAS No.: 4488-40-8
• Molecular Formula: C12H10O2
• Molecular Weight: 186.21
• Hs Code.: 29163990
• European Community (EC) Number: 672-694-9
• DSSTox Substance ID: DTXSID30196329
• Nikkaji Number: J1.681.106H
• Wikidata: Q72493268
• Mol file: 4488-40-8.mol

Synonyms:4-Methyl-1-naphthoic acid;4488-40-8;4-methylnaphthalene-1-carboxylic acid;4-Methyl-1-naphthalenecarboxylic acid;MFCD00671557;1-Naphthalenecarboxylic acid, 4-methyl-;4-Methyl-1-napthoic acid;4-Methyl-1-naphthoicAcid;4-methylnaphthoic acid;SCHEMBL669648;DTXSID30196329;SIVYRLBDAPKADZ-UHFFFAOYSA-N;4-Methyl-1-naphthoic acid, 97%;BCP26306;AB1529;BBL100278;STL553843;1-Methylnaphthalene-4-carboxylic acid;AKOS000114424;4-Methyl-naphthalene-1-carboxylic acid;CS-W016901;AC-25714;SY021469;TS-02600;AM20040499;FT-0671955;M1203;A24562;EN300-110133;J-515695;J-803023;2,4-Dimethoxy-6-(N-methyl-morpho linium-4-yl)-1,3,5-triazine chloride

Chemical Property of 4-Methyl-1-naphthoic acid

Chemical Property:

• Appearance/Colour: Off-white solid
• Vapor Pressure: 1.08E-06mmHg at 25°C
• Melting Point: 179-181 °C(lit.)
• Refractive Index: 1.654
• Boiling Point: 387.4 °C at 760 mmHg
• PKA: 3.78±0.10(Predicted)
• Flash Point: 174 °C
• PSA: 37.30000
• Density: 1.222 g/cm³
• LogP: 2.84640
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol
• XLogP3: 3.5
• 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:

99.9% ^*data from raw suppliers

4-Methyl-1-naphthoic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C2=CC=CC=C12)C(=O)O
• Uses: 4-Methyl-1-naphthoic acid may be used to synthesize:2-methyl-1-propyl-3-(4-methyl-1-naphthoyl)indole, JWH-1484-methyl-1-naphthylcarbinol1,4-dioxan-2-yl 4-methyl-1-naphthoate Naphthalenecarboxylic acid derivatives known for their antidote activity against urea and other herbicides.

Technology Process of 4-Methyl-1-naphthoic acid

There total 26 articles about 4-Methyl-1-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: 99.0%

carbon dioxide (124-38-9,18923-20-1) + 1-Methylnaphthalene (90-12-0,34475-76-8) → 4-Methyl-1-naphthoic acid (4488-40-8)

Guidance literature:

With aluminum tri-bromide; Triphenylsilyl chloride; In chlorobenzene; at 20 ℃; for 3h; under 22502.3 Torr; regioselective reaction; Autoclave;

DOI:10.1021/jo101808z

Reference yield: 99.0%

4-methyl-1-naphthaldehyde (33738-48-6) → 4-Methyl-1-naphthoic acid (4488-40-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 19h;

DOI:10.1016/j.tet.2004.05.077

Reference yield: 91.0%

1-methyl-1,4-dihydronaphthalene-1,4-dicarboxylic acid → 4-Methyl-1-naphthoic acid (4488-40-8)

Guidance literature:

With chlorosulfonic acid; In chloroform; at 0 ℃;

DOI:10.1002/ejoc.201200823

upstream raw materials:

4-methylnaphthalene-1-methanol

carbon dioxide

1-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-4-methyl naphtalene

5,6,7,8-Tetrahydro-4-methyl-naphthalin-1-carbonsaeure

Downstream raw materials:

1,4-dimethylnaphthalene

(4-ethylnaphthalen-1-yl)methanol

methyl 4-methyl-1-naphthalenecarboxylate

methyl 4-bromomethylnaphthalene-1-carboxylate

Refernces

• 1、 Bramborg, Andrea,Linker, Torsten. "Regioselective synthesis of alkylarenes by two-step ipso-substitution of aromatic dicarboxylic acids". . p. 5552 - 5563. Retrieved 2012/11/07.
• 2、 Nemoto, Koji,Yoshida, Hiroki,Egusa, Naoki,Morohashi, Naoya,Hattori, Tetsutaro. "Direct carboxylation of arenes and halobenzenes with CO2 by the combined use of AlBr3 and R3SiCl". experimental part. p. 7855 - 7862. Retrieved 2011/02/21.