1-Anthracenecarboxylic acid

Base Information

• Chemical Name: 1-Anthracenecarboxylic acid
• CAS No.: 607-42-1
• Molecular Formula: C15H10O2
• Molecular Weight: 222.243
• Hs Code.: 2916399090
• European Community (EC) Number: 672-748-1
• DSSTox Substance ID: DTXSID60209512
• Nikkaji Number: J79.719G
• Wikidata: Q27118083
• Metabolomics Workbench ID: 56108
• ChEMBL ID: CHEMBL2159006
• Mol file: 607-42-1.mol

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

Chemical Property of 1-Anthracenecarboxylic acid

Chemical Property:

• Vapor Pressure: 1.53E-09mmHg at 25°C
• Melting Point: 252 °C
• Refractive Index: 1.743
• Boiling Point: 467.5 °C at 760 mmHg
• PKA: pK1: 3.68 (25°C)
• Flash Point: 206.1 °C
• PSA: 37.30000
• Density: 1.305 g/cm³
• LogP: 3.69120
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly)
• XLogP3: 4.3
• 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

1-Anthracenecarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C(=O)O

Technology Process of 1-Anthracenecarboxylic acid

There total 18 articles about 1-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: 75.0%

anthraquinone-1-carboxylic acid (602-69-7) → anthracene-1-carboxylic acid (607-42-1)

Guidance literature:

With ammonium hydroxide; zinc; for 4h; Reflux;

DOI:10.1002/ejoc.201800897

Reference yield: 70.0%

1-acetylanthracene (7396-21-6) → anthracene-1-carboxylic acid (607-42-1)

Guidance literature:

1-acetylanthracene; With sodium hypochlorite; sodium hydroxide; In tetrahydrofuran; at 70 ℃; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; Solvent; Reagent/catalyst; Temperature;

Reference yield:

1-chloroanthracene-9,10-dione (82-44-0) → anthracene-1-carboxylic acid (607-42-1)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylformamide

2: dil. H₂SO₄

3: Zn/ammonia

With sulfuric acid; ammonia; zinc; In N,N-dimethyl-formamide;

DOI:10.1016/0008-6215(89)85174-2

upstream raw materials:

anthracene-1-carbonitrile

anthraquinone-1-carboxylic acid

4-chloro-9,10-dioxo-9,10-dihydro-1-anthracenecarboxylic acid

ammonia

Downstream raw materials:

anthracene-1-carbonitrile

anthracene

N-cyclohexyl-N-[(cyclohexylamino)carbonyl]-1-anthracenecarboxamide

C₁₅H₁₀O₂*C₄₄H₈₃NO₄

Refernces

• 1、 Ulatowski, Filip,Melaniuk, Karolina. "1-(Methylamino)anthracene – An Accessible Building Block for Photoresponsive Compounds". . p. 6629 - 6633. Retrieved 2018/11/23.
• 2、 Saitoh, Yasuo,Kaneko, Makoto,Segawa, Katsunori,Itoh, Hiroki,Sakuragi, Hirochika. "Mechanism for photocleavage of N-(anthroyloxy)-9-fluorenylideneamines and dynamic behavior of anthroyloxyl radicals". . p. 2013 - 2023. Retrieved 2007/10/03.