3-Amino-2,6-dimethylphenol

Base Information

• Chemical Name: 3-Amino-2,6-dimethylphenol
• CAS No.: 6994-64-5
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 2922299090
• European Community (EC) Number: 230-268-6
• UNII: KK52J0MQ7D
• DSSTox Substance ID: DTXSID80220224
• Nikkaji Number: J266.044J
• Wikidata: Q27282301
• Mol file: 6994-64-5.mol

Synonyms:3-amino-2,6-dimethylphenol;6994-64-5;3-Amino-2,6-xylenol;EINECS 230-268-6;UNII-KK52J0MQ7D;KK52J0MQ7D;2,6-dimethyl-3-aminophenol;SCHEMBL126200;2,6-dimethyl-3-amino phenol;3-amino 2,6-dimethyl phenol;3-amino-2,6-dimethyl phenol;2,4-Dimethyl-3-hydroxyaniline;3-azanyl-2,6-dimethyl-phenol;3-amino-2,6-dimethylphenol HCl;AMY7297;DTXSID80220224;Phenol, 3-amino-2,6-dimethyl-;2,6-XYLENOL, 3-AMINO-;2,6-DIMETHYL-5-AMINOPHENOL;MFCD09971645;AKOS009218079;SB75498;3-AMINO-2,6-DIMETHYLPHENOL [INCI];CS-0246614;EN300-33426;A820674;Q27282301;Z352249250

Chemical Property of 3-Amino-2,6-dimethylphenol

Chemical Property:

• Vapor Pressure: 0.00394mmHg at 25°C
• Boiling Point: 271.2°C at 760 mmHg
• Flash Point: 117.8°C
• PSA: 46.25000
• Density: 1.118g/cm³
• LogP: 2.17240
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-2,6-dimethylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)N)C)O

Technology Process of 3-Amino-2,6-dimethylphenol

There total 8 articles about 3-Amino-2,6-dimethylphenol 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: 77.0%

2,6-dimethyl-3-nitro-phenol (6994-63-4) → 3-amino-2,6-dimethyl-phenol (6994-64-5)

Guidance literature:

With acetic acid; zinc; at 90 ℃; for 1.5h;

Reference yield:

2,4-Xylidine (95-68-1) → furan (110-00-9) + (2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + Malondialdehyde (542-78-9) + 3-amino-2,6-dimethyl-phenol (6994-64-5) + acrolein (107-02-8,25068-14-8) + 4-Amino-2-hydroxy-3-methylbenzylalcohol

Guidance literature:

With dihydrogen peroxide; iron(II) sulfate; In water; Product distribution; Irradiation; also without chemicals;

DOI:10.1021/jp980129j

Reference yield:

1-(2,4-Dimethyl-3-hydroxy-phenyl)-semicarbazid (14106-49-1) → 3-amino-2,6-dimethyl-phenol (6994-64-5)

Guidance literature:

With hydrogen; nickel; In ethanol;

DOI:10.1007/BF00904283

upstream raw materials:

1-(2,4-Dimethyl-3-hydroxy-phenyl)-semicarbazid

2,6-dimethyl-3-nitro-phenol

2,4-Xylidine

6-acetoxy-2,6-dimethyl-2,4-cyclohexadienone

Downstream raw materials:

3-Amino-2,6-dimethyl-4-[(Z)-3-methyl-4-methylamino-phenylimino]-cyclohexa-2,5-dienone

C₁₅H₁₇N₃O

(E)-4-((2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl)-N-(pyridin-2-yl)benzenesulfonamide

Refernces

• 1、 Bossmann, Stefan H.,Oliveros, Esther,Goeb, Sabine,Siegwart, Silvia,Dahlen, Elizabeth P.,Payawan Jr., Leon,Straub, Matthias,Woerner, Michael,Braun, Andre M.. "New evidence against hydroxyl radicals as reactive intermediates in the thermal and photochemically enhanced fenton reactions". . p. 5542 - 5550. Retrieved 2007/10/03.