3-Methyl-4-nitrosophenol

Base Information

• Chemical Name: 3-Methyl-4-nitrosophenol
• CAS No.: 615-01-0
• Molecular Formula: C7H7 N O2
• Molecular Weight: 137.138
• European Community (EC) Number: 210-405-6
• NSC Number: 677513,21470
• UNII: AV0MPT9XZE
• DSSTox Substance ID: DTXSID40210464
• Nikkaji Number: J48.513F
• Wikidata: Q83085194
• Mol file: 615-01-0.mol

Synonyms:3-Methyl-4-nitrosophenol;p-Nitroso-m-cresol;615-01-0;4-Nitroso-m-cresol;m-CRESOL, 4-NITROSO-;Phenol, 3-methyl-4-nitroso-;4-Nitroso-3-cresol;4-Nitroso-3-methylphenol;AV0MPT9XZE;EINECS 210-405-6;NSC 21470;BRN 2206014;AI3-18991;NSC-21470;NSC677513;NSC-677513;NSC21470;UNII-AV0MPT9XZE;3-methyl-4-nitroso-phenol;WLN: QR C1 DNO;SCHEMBL766049;SCHEMBL5164437;2-methylbenzoquinone 1-monoxime;DTXSID40210464;2-methyl-[1,4]-benzoquinone oxime;3-Methyl-1,4-benzoquinone-4-oxime;MFCD00020126;AKOS006272884;LS-55429;4-hydroxyimino-3-methyl-2,5-cyclohexadien-1-one

Chemical Property of 3-Methyl-4-nitrosophenol

Chemical Property:

• Vapor Pressure: 0.000913mmHg at 25°C
• Boiling Point: 294.6°C at 760 mmHg
• PKA: 6?+-.0.18(Predicted)
• Flash Point: 132°C
• PSA: 49.66000
• Density: 1.19g/cm³
• LogP: 2.09850
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

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

p-Nitroso-m-cresol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)O)N=O
• Uses: A minor product formed during the metabolism of 4-nitro-m-cresol by ridgeback prawns.

Technology Process of 3-Methyl-4-nitrosophenol

There total 5 articles about 3-Methyl-4-nitrosophenol 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: 63.0%

3-methyl-phenol (108-39-4) → 3-methyl-4-nitroso-phenol (615-01-0) + 2-nitroso-m-cresol (97871-71-1)

Guidance literature:

With hydrogenchloride; In water; at 0 - 5 ℃; for 1.05h;

DOI:10.1016/j.crci.2011.09.012

Reference yield:

3-methyl-phenol (108-39-4) → 3-methyl-4-nitroso-phenol (615-01-0)

Guidance literature:

With potassium hydrogen phthalate buffer; sodium nitrite; at 36.9 ℃; Rate constant; Thermodynamic data; Kinetics; various pH;

DOI:10.1002/(sici)1097-4601(1997)29:2<119::aid-kin5>3.0.co;2-x

Reference yield:

4-dimethylamino-2-methyl(nitroso)benzene (29785-93-1) → 3-methyl-4-nitroso-phenol (615-01-0)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

4-dimethylamino-2-methyl(nitroso)benzene

3-methyl-phenol

N,N-dimethyl-m-toluidine

Downstream raw materials:

2-chloro-4-methoxy-6-methylaniline

4-ethoxy-2-chloro-6-methyl-aniline

benzoic acid-(4-hydroxyimino-3-methyl-cyclohexa-2,5-dienylidenehydrazide)

3-methyl-4-nitrophenol

Refernces

• 1、 Valizadeh, Hassan,Amiri, Mohammad,Shomali, Ashkan. "New nitrite ionic liquid (IL-ONO) and nanoparticles of organosilane-based nitrite ionic liquid immobilized on silica as nitrosonium sources for electrophilic aromatic nitrosation". experimental part. p. 1103 - 1108. Retrieved 2012/03/10.
• 2、 Kogan, L. M.,Petropavlovskaya, E. N.,Shein, V. D.,Krol', V. A.. "REACTIVITY OF AROMATIC C-NITROSO COMPOUNDS RELATIVE TO REACTION WITH 2-METHYL-2-BUTENE". . p. 2289 - 2292. Retrieved 2007/10/02.