Benzoic acid, 4-[(2-hydroxy-4,5-dimethylphenyl)azo]-

Base Information

• Chemical Name: Benzoic acid, 4-[(2-hydroxy-4,5-dimethylphenyl)azo]-
• CAS No.: 3810-51-3
• Molecular Formula: C15H14N2O3
• Molecular Weight: 270.288
• Hs Code.: 2927000090
• European Community (EC) Number: 654-476-5
• NSC Number: 1576
• UNII: EMA7WKZ242
• DSSTox Substance ID: DTXSID1063194
• Nikkaji Number: J421.698I
• ChEMBL ID: CHEMBL1714559
• Mol file: 3810-51-3.mol

Synonyms:1,2-dimethyl-4-(p-carboxyphenylazo)-5-hydroxybenzene

Chemical Property of Benzoic acid, 4-[(2-hydroxy-4,5-dimethylphenyl)azo]-

Chemical Property:

• Vapor Pressure: 2.88E-09mmHg at 25°C
• Boiling Point: 460.3°C at 760 mmHg
• Flash Point: 232.2°C
• PSA: 82.25000
• Density: 1.24g/cm³
• LogP: 4.12260
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 270.10044231
• Heavy Atom Count: 20
• Complexity: 364

Purity/Quality:

99%min ^*data from raw suppliers

4-(6-HYDROXY-3,4-XYLYLAZO)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)O)N=NC2=CC=C(C=C2)C(=O)O

Technology Process of Benzoic acid, 4-[(2-hydroxy-4,5-dimethylphenyl)azo]-

There total 1 articles about Benzoic acid, 4-[(2-hydroxy-4,5-dimethylphenyl)azo]- 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:

→ 1,2-dimethyl-4-p-(carboxyphenylazo)-5-hydroxybenzene (3810-51-3)

Guidance literature:

/BRN= 3472334/;

DOI:10.1021/ja01534a025

Reference yield:

1,2-dimethyl-4-p-(carboxyphenylazo)-5-hydroxybenzene (3810-51-3) → 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1)

Guidance literature:

With α-D-glucose 6-phosphate; phosphate buffer pH 7.4; rat hepatic azoreductase; NADP; In water; at 37 ℃; Rate constant;

DOI:10.1002/jps.2600730206

Reference yield:

{RuC2O4(bpy)2}*4H2O + 2-((4-carboxyphenyl)azo)-4,5-dimethylphenol (3810-51-3) + sodium perchlorate → bis(2,2'-bipyridine)(2-((4-carboxyphenyl)azo)-4,5-dimethylphenolato)ruthenium(II) perchlorate (77590-12-6)

Guidance literature:

With hydrogenchloride; In methanol; To a soln. of complex in MeOH aq. HCl was added, heated to reflux for 12 h, the ligand and NaOH was added, refluxed for 6 h, filtered, NaClO4 in MeOH was added;; reduced in vol., ppt. was filtered, washed with H2O, ether, dried undervac.;;

Downstream raw materials:

4-amino-benzoic acid

bis(2,2'-bipyridine)(2-((4-carboxyphenyl)azo)-4,5-dimethylphenolato)ruthenium(II) perchlorate