3,5-Dihydroxy-2-naphthoic acid

Base Information

• Chemical Name: 3,5-Dihydroxy-2-naphthoic acid
• CAS No.: 89-35-0
• Molecular Formula: C11H8 O4
• Molecular Weight: 204.182
• Hs Code.: 2918290000
• European Community (EC) Number: 201-900-8
• NSC Number: 50694
• UNII: RCB7DWP5NB
• DSSTox Substance ID: DTXSID00237470
• Nikkaji Number: J182.063J
• Wikidata: Q83119647
• Pharos Ligand ID: USB5UMXH35L5
• ChEMBL ID: CHEMBL2010868
• Mol file: 89-35-0.mol

Synonyms:3,5-Dihydroxy-2-naphthoic acid;89-35-0;3,5-dihydroxynaphthalene-2-carboxylic acid;UBP551;2,8-Dihydroxy-3-naphthoic acid;2-Naphthoic acid, 3,5-dihydroxy-;2-Naphthalenecarboxylic acid, 3,5-dihydroxy-;3,5-Dihydroxy-2-naphthalenecarboxylic Acid;1,7-Dihydroxy-6-naphthoic acid;3,5-Dihydroxy-2-carboxynaphthalene;RCB7DWP5NB;NSC50694;CHEMBL2010868;EINECS 201-900-8;NSC 50694;NSC-50694;UNII-RCB7DWP5NB;1,7-Dihydroxy-6-naphthalenecarboxylic acid;Oprea1_580588;SCHEMBL214909;3,5-dihydroxy-2-naphthoesyre;2-Naphthoic acid,5-dihydroxy-;3,5 dihydroxy-2-napthoic acid;DTXSID00237470;BBL009277;BDBM50379184;MFCD00003982;STK530255;AKOS005463158;3,5-Dihydroxy-2-naphthoic acid, 97%;2-Naphthalenecarboxylic acid,5-dihydroxy-;AS-16497;2,8-Dihydroxynaphthalene-3-carboxylic acid;CS-0018716;FT-0607024;O10923

Chemical Property of 3,5-Dihydroxy-2-naphthoic acid

Chemical Property:

• Vapor Pressure: 1.35E-08mmHg at 25°C
• Melting Point: 275-280 °C(lit.)
• Boiling Point: 442.2°C at 760 mmHg
• PKA: 2.95±0.30(Predicted)
• Flash Point: 235.3°C
• PSA: 77.76000
• Density: 1.535±0.06 g/cm3(Predicted)
• LogP: 1.94920
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 204.04225873
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

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

3,5-Dihydroxynapthalene-2-carboxylic 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: C1=CC2=CC(=C(C=C2C(=C1)O)O)C(=O)O
• Uses: 3,5-Dihydroxy-2-naphthoic Acid is used as a negative or positive NMDA receptor inhibitor, via allosteric control. NMDA receptors regulate CHN (central nervous system) functions.It is also used as a protein tyrosine phosphatase inhibitor due to the benzofuran-like moiety in the substructure. 3,5-Dihydroxynapthalene-2-carboxylic Acid is used as a negative or positive NMDA receptor inhibitor, via allosteric control. NMDA receptors regulate CHN (central nervous system) functions. Also used as a protein tyrosine phosphatase inhibitor due to the benzofuran-like moiety in the substructure.

Technology Process of 3,5-Dihydroxy-2-naphthoic acid

There total 1 articles about 3,5-Dihydroxy-2-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:

→ 3,5-dihydroxy-2-naphthoic acid (89-35-0)

Guidance literature:

With potassium hydroxide; water; beim Schmelzen;

Reference yield: 98.0%

3,5-dihydroxy-2-naphthoic acid (89-35-0) → E-2,5-dicarboxy-4-hydroxycinnamic acid (1383255-84-2)

Guidance literature:

With 2,2'-dinitro-4,4'-di(trifluoromethyl)diphenyl diselenide; dihydrogen peroxide; In tert-butyl alcohol; at 55 ℃; for 20h;

DOI:10.1080/00397911.2011.561945

Reference yield: 61.0%

WSC.HCl + 3,5-dihydroxy-2-naphthoic acid (89-35-0) + methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7) → (2S)-3-Phenyl-2-(3,5-dihydroxy-2-naphthoylamino)propionic acid methyl ester

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; In water; N,N-dimethyl-formamide;

Downstream raw materials:

2-hydroxy-11H-benzo(a)carbazole-3-carboxylic acid

methyl 3,5-dihydroxy-2-naphthoate

ethyl 3,5-bis(4-methylphenyl)-2-naphthoate

ethyl 3,5-bis(4-tert-butylphenyl)-2-naphthoate