2-Anthracenecarboxylic acid

Base Information

• Chemical Name: 2-Anthracenecarboxylic acid
• CAS No.: 613-08-1
• Molecular Formula: C15H10O2
• Molecular Weight: 222.243
• Hs Code.: 29163990
• European Community (EC) Number: 672-746-0
• NSC Number: 406583
• UNII: F5MG9MB7YX
• DSSTox Substance ID: DTXSID30210190
• Nikkaji Number: J79.734K
• Wikidata: Q27118084
• Metabolomics Workbench ID: 56109
• ChEMBL ID: CHEMBL2159005
• Mol file: 613-08-1.mol

Synonyms:2-anthracenecarboxylic acid;anthracene-1-carboxylic acid;anthracene-1-carboxylic acid, sodium salt

Chemical Property of 2-Anthracenecarboxylic acid

Chemical Property:

• Vapor Pressure: 2.37E-08mmHg at 25°C
• Melting Point: 289 °C
• Refractive Index: 1.743
• Boiling Point: 435.4 °C at 760 mmHg
• PKA: pK1: 4.18 (25°C)
• Flash Point: 194.8 °C
• PSA: 37.30000
• Density: 1.305 g/cm³
• LogP: 3.69120
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly, Sonicated), Methanol (Slightly, Sonica
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.068079557
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

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

2-Anthracenecarboxylic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)O
• Uses: 2-Anthracenecarboxylic Acid is a useful reagent for the preparation of aromatic nitriles.

Technology Process of 2-Anthracenecarboxylic acid

There total 3 articles about 2-Anthracenecarboxylic 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: 84.0%

C19H14O6 → 2-anthroic acid (613-08-1) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2)

Guidance literature:

In diphenylether; Heating;

DOI:10.1016/S0040-4039(00)77055-9

Reference yield:

2-methylanthracene-9,10-dione (84-54-8) → 2-anthroic acid (613-08-1)

Guidance literature:

Multi-step reaction with 2 steps

1: CrO₃ / acetic acid

2: Zn, NH₄OH

With chromium(VI) oxide; ammonium hydroxide; zinc; In acetic acid;

DOI:10.1016/0040-4039(96)00898-2

Reference yield:

2-methylanthracene-9,10-dione (84-54-8) → 2-anthroic acid (613-08-1)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium dichromate; sulfuric acid

2: zinc dust; diluted ammonia

With potassium dichromate; ammonium hydroxide; sulfuric acid; zinc;

upstream raw materials:

2-methylanthracene-9,10-dione

Downstream raw materials:

C₈H₁₇N*C₁₅H₁₀O₂

C₁₁H₁₇N*C₁₅H₁₀O₂

C₈H₁₁N*C₁₅H₁₀O₂

4-amino-5-chloro-2-methoxy-N-((2S,4S)-(1-ethyl-2-hydroxymethyl-4-pyrrolidinyl))-benzamide*2-anthracenecarboxylic acid complex

Refernces

• 1、 McCormick, Frankie A.,Marquardt, Donald J.. "Oxidation of aliphatic side chains in anthracene Diels-Alder adducts". . p. 5169 - 5172. Retrieved 2007/10/02.