Methyl 4-hydroxy-2-naphthoate

Base Information

• Chemical Name: Methyl 4-hydroxy-2-naphthoate
• CAS No.: 34205-71-5
• Molecular Formula: C12H10O3
• Molecular Weight: 202.21
• European Community (EC) Number: 859-486-5
• Nikkaji Number: J3.473.835A
• Mol file: 34205-71-5.mol

Synonyms:methyl 4-hydroxy-2-naphthoate;34205-71-5;methyl 4-hydroxynaphthalene-2-carboxylate;2-Naphthalenecarboxylic acid, 4-hydroxy-, methyl ester;3-methoxycarbonyl-1-naphthol;methyl4-hydroxy-2-naphthoate;SCHEMBL161776;2-Naphthalenecarboxylic acid,4-hydroxy-,methyl ester;AMY41409;CS-B0396;MFCD12405015;AKOS022647008;CS-14059;EN300-373958;F51618;A933809

Chemical Property of Methyl 4-hydroxy-2-naphthoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 157-158 °C
• Boiling Point: 393.314°C at 760 mmHg
• PKA: 8.63±0.40(Predicted)
• Flash Point: 176.083°C
• Density: 1.265g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.062994177
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-Hydroxy-2-naphthalenecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=CC=CC=C2C(=C1)O

Technology Process of Methyl 4-hydroxy-2-naphthoate

There total 11 articles about Methyl 4-hydroxy-2-naphthoate 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: 84.0%

methyl 4-acetoxy-2-naphthoate (127265-98-9) → methyl 4-hydroxy-2-naphthalenecarboxylate (34205-71-5)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃; for 15h;

Reference yield: 71.0%

2-iodomethyl-1-oxo-indan-2-carboxylic acid methyl ester → methyl 4-hydroxy-2-naphthalenecarboxylate (34205-71-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; 2',4',5',7'-tetraiodofluorescein disodium salt; lithium hydroxide; In dimethyl sulfoxide; for 20h; Inert atmosphere; Irradiation; Green chemistry;

DOI:10.1039/c8ra02383b

Reference yield: 41.0%

methanol (67-56-1) + 2-(trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene → 2-(trifluoromethyl)-1-naphthol + methyl 4-hydroxy-2-naphthalenecarboxylate (34205-71-5)

Guidance literature:

With hydrogenchloride; at 90 ℃; for 12h;

DOI:10.1039/c3ob41560k

upstream raw materials:

methyl 4-acetoxy-2-naphthoate

methanol

1,4-epoxy-1,4-dihydronaphthalene

3-hydroxynaphthoic acid

Downstream raw materials:

(+)-(1S)-5-(benzyloxy)-3-(tert-butyloxycarbonyl)-1-(hydroxymethyl)-1,2-dihydro-3H-benzindole

5-(benzyloxy)-3-(tert-butyloxycarbonyl)-1-(chloromethyl)-1,2-dihydro-3H-benzindole

N-(tert-butyloxycarbonyl)-4-(benzyloxy)-2-naphthylamine

tert-butyl (4-(benzyloxy)-1-iodonaphthalen-2-yl)carbamate

Refernces

• 1、 -. "CYTOTOXIC AGENTS". Page/Page column 158. . Retrieved 2022/02/09.
• 2、 Lin, Jian,Hu, Liuyu,Chen, Chao,Feng, Huijin,Yu, Yang,Yang, Yaxi,Zhou, Bing. "Rhodium-Catalyzed Twofold Unsymmetrical C-H Alkenylation-Annulation/Thiolation Reaction to Access Thiobenzofurans". supporting information. p. 1194 - 1198. Retrieved 2021/02/20.