2-Methoxy-1-naphthoic acid

Base Information

• Chemical Name: 2-Methoxy-1-naphthoic acid
• CAS No.: 947-62-6
• Molecular Formula: C12H10 O3
• Molecular Weight: 202.21
• Hs Code.: 2918990090
• European Community (EC) Number: 213-429-5
• DSSTox Substance ID: DTXSID40241571
• Nikkaji Number: J298.552G
• Wikidata: Q83125087
• Mol file: 947-62-6.mol

Synonyms:2-Methoxy-1-naphthoic acid;947-62-6;2-methoxynaphthalene-1-carboxylic acid;2-Methoxynaphthoic acid;2-Methoxy-1-naphthoic acid, 98%;EINECS 213-429-5;1-Naphthoic acid, 2-methoxy-;Methoxynaphthoesaure;1-Naphthalenecarboxylic acid, 2-methoxy-;2-methoxy-1-naphtoic acid;SCHEMBL979842;2-Methoxy-1-naphthoic acid #;DTXSID40241571;BBL035831;MFCD00021532;STL432180;2-methoxy-1-naphthalenecarboxylic acid;AKOS000278137;2-methoxy-naphthalene-1-carboxylic acid;AS-60961;CS-0195992;FT-0691733;M1417;D91500;EN300-1859126

Chemical Property of 2-Methoxy-1-naphthoic acid

Chemical Property:

• Vapor Pressure: 8.67E-07mmHg at 25°C
• Melting Point: 177-180 °C(lit.)
• Boiling Point: 390.2°Cat760mmHg
• PKA: 3.11±0.10(Predicted)
• Flash Point: 156.5°C
• PSA: 46.53000
• Density: 1.263g/cm³
• LogP: 2.54660
• XLogP3: 2.7
• 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:

98%,99%, ^*data from raw suppliers

2-Methoxy-1-naphthoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C2=CC=CC=C2C=C1)C(=O)O
• Uses: 2-Methoxy-1-naphthoic acid may be used in the synthesis of chiral (methoxynaphthyl)oxazoline.

Technology Process of 2-Methoxy-1-naphthoic acid

There total 30 articles about 2-Methoxy-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: 90.0%

methyl ester of 2-methoxy-1-naphthalenecarboxylic acid (13343-92-5) → 2-methoxy-1-naphthoic acid (947-62-6)

Guidance literature:

With sodium hydroxide; In methanol; water; for 48h; Heating;

DOI:10.1016/S0040-4020(98)00814-X

Reference yield: 85.0%

2-methoxy-1-naphthaldehyde (5392-12-1) → 2-methoxy-1-naphthoic acid (947-62-6)

Guidance literature:

With potassium permanganate; In acetone; at 20 ℃; for 8h;

Reference yield: 82.0%

carbon dioxide (124-38-9,18923-20-1) + 1-chloro-2-methoxynaphthalene (13101-92-3) → 2-methoxy-1-naphthoic acid (947-62-6)

Guidance literature:

1-chloro-2-methoxynaphthalene; With lithium; In diethyl ether; at 3 - 20 ℃; for 4h;

carbon dioxide; In diethyl ether;

DOI:10.1021/ol302672n

upstream raw materials:

n-butyllithium

1-bromo-2-methoxynaphthalene

2-methoxy-1-naphthaldehyde

methylammonium carbonate

Downstream raw materials:

methyl ester of 2-methoxy-1-naphthalenecarboxylic acid

2-methoxy-1-naphthoic acid chloride

β-naphthol

2-methoxy-1-(phenylethynyl)naphthalene

Refernces

• 1、 -. "Naphthyl, (substituted) aryl, piperazine base trunk apperception composition". Paragraph 0359; 0360. . Retrieved 2016/10/08.
• 2、 Screttas, Constantinos G.,Steele, Barry R.,Micha-Screttas, Maria,Heropoulos, Georgios A.. "Aryllithiums with increasing steric crowding and lipophilicity prepared from chlorides in diethyl ether. the first directly prepared room-temperature-stable dilithioarenes". supporting information. p. 5680 - 5683. Retrieved 2013/01/15.