4-(p-Hydroxyphenyl)-2,5-cyclohexadiene-1-one sodium salt

Base Information

• Chemical Name: 4-(p-Hydroxyphenyl)-2,5-cyclohexadiene-1-one sodium salt
• CAS No.: 5418-32-6
• Molecular Formula: C12H9 N O2 . Na
• Molecular Weight: 221.191
• Hs Code.: 2925290090
• NSC Number: 10440
• Mol file: 5418-32-6.mol

Synonyms:NSC-10440;4-(p-Hydroxyphenyl)-2,5-cyclohexadiene-1-one sodium salt;NSC10440;2, 4-(p-hydroxyphenyl)imino-, sodium salt;2, 4-[(4-hydroxyphenyl)imino]-, sodium salt;A830016;WLN: L6V DYJ DUNR DO &-NA- &19/15

Chemical Property of 4-(p-Hydroxyphenyl)-2,5-cyclohexadiene-1-one sodium salt

Chemical Property:

• Boiling Point: 360°Cat760mmHg
• Flash Point: 171.5°C
• PSA: 52.49000
• Density: 1.18g/cm³
• LogP: 2.59800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 222.05309781
• Heavy Atom Count: 16
• Complexity: 316

Purity/Quality:

98%min ^*data from raw suppliers

INDOPHENOL SODIUM SALT 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C=CC1=NC2=CC=C(C=C2)O.[Na+]

Technology Process of 4-(p-Hydroxyphenyl)-2,5-cyclohexadiene-1-one sodium salt

There total 3 articles about 4-(p-Hydroxyphenyl)-2,5-cyclohexadiene-1-one sodium salt 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: 4.0%

phenol (108-95-2,27073-41-2) → 2-monochlorophenol (95-57-8) + indophenol sodium salt (5418-32-6) + 4-chloro-phenol (106-48-9,82344-39-6) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8)

Guidance literature:

With chloroamine; In water; pH=13; Product distribution;

DOI:10.1021/es030644h

Reference yield:

phenol (108-95-2,27073-41-2) → indophenol sodium salt (5418-32-6)

Guidance literature:

With sodium hypochlorite; ammonia; In various solvent(s); at 25 ℃; for 0.5h; suppressing of the formation of indophenol with nucleophiles;

DOI:10.1021/ac00238a015

Reference yield:

2,2,6,6-Tetramethyl-1-piperidinyloxy free radical (2564-83-2,45842-10-2,126517-51-9,25657-03-8,26933-82-4,54637-06-8,64104-42-3) + benzoquinone N-chloroimine (637-61-6) + phenol (108-95-2,27073-41-2) → indophenol sodium salt (5418-32-6) + 4-(1,1,5-trimethyl-hex-4-enyl-ONN-azoxy)-phenol + 4-(1,1,5-trimethyl-hex-5-enyl-ONN-azoxy)-phenol

Guidance literature:

With p-benzoquinone; In water-d2; acetonitrile; at 25 ℃; for 5h; pH=9.2; Further Variations:; Reagents; pH-values; Product distribution; Kinetics;

DOI:10.1021/jo982113v

upstream raw materials:

phenol

2,2,6,6-Tetramethyl-1-piperidinyloxy free radical

benzoquinone N-chloroimine

Refernces

• 1、 Reichert, Malinda D.,White, Miles A.,Thompson, Michelle J.,Miller, Gordon J.,Vela, Javier. "Preparation and Instability of Nanocrystalline Cuprous Nitride". . p. 6356 - 6362. Retrieved 2015.
• 2、 Pallagi, Istvan,Toro, Andras,Horvath, Gyula. "Mechanism of the Gibbs reaction. Part 4. Indophenol formation via N- chlorobenzoquinone imine radical anions. The aza-S(RN)2 chain reaction mechanism. Chain initiation with 1,4-benzoquinones and cyanide ion". . p. 6530 - 6540. Retrieved 2007/10/03.