6-Amino-2,4-dichloro-3-methylphenol

Base Information

• Chemical Name: 6-Amino-2,4-dichloro-3-methylphenol
• CAS No.: 40677-44-9
• Molecular Formula: C7H7Cl2NO
• Molecular Weight: 192.045
• Hs Code.: 2922299090
• European Community (EC) Number: 255-033-5
• UNII: JR7CL4CYA2
• DSSTox Substance ID: DTXSID9068245
• Nikkaji Number: J31.073E
• Wikidata: Q72435710
• Mol file: 40677-44-9.mol

Synonyms:6-amino-2,4-dichloro-3-methylphenol;40677-44-9;2-AMINO-4,6-DICHLORO-5-METHYLPHENOL;6-Amino-2,4-dichloro-m-cresol;Phenol, 6-amino-2,4-dichloro-3-methyl-;JR7CL4CYA2;EINECS 255-033-5;UNII-JR7CL4CYA2;Oprea1_795152;SCHEMBL2527588;DTXSID9068245;MFCD00071776;STK396630;6-Amino-2.4 dichloro-3-metylphenol;6-Amino-2.4 dichloro-3-methylphenol;AKOS005431307;CS-W000360;3,5-Dichloro-2-hydroxy-4-methylaniline;FT-0639660;D77621;A825228;W-106338

Chemical Property of 6-Amino-2,4-dichloro-3-methylphenol

Chemical Property:

• Melting Point: 133-134 °C
• Boiling Point: 296.3 °C at 760 mmHg
• PKA: 7.97±0.28(Predicted)
• Flash Point: 133 °C
• PSA: 46.25000
• Density: 1.473 g/cm³
• LogP: 3.17080
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.9904692
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

99.9% ^*data from raw suppliers

6-Amino-2,4-dichloro-3-methylphenol 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C(=C1Cl)O)N)Cl

Technology Process of 6-Amino-2,4-dichloro-3-methylphenol

There total 3 articles about 6-Amino-2,4-dichloro-3-methylphenol 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:

2,4-Dichloro-3-methyl-6-nitro-phenol (39549-27-4) → 3,5-Dichloro-2-hydroxy-4-methylaniline (40677-44-9)

Guidance literature:

With hydrogen; sulfide carbon; platinum; In ethyl acetate; for 24h;

DOI:10.1021/jm9801004

Reference yield:

2,4-dichloro-3-methylphenol (17788-00-0) → 3,5-Dichloro-2-hydroxy-4-methylaniline (40677-44-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / HNO₃, H₂SO₄, AcOH / 2 h / Ambient temperature

2: H₂ / 5percent Pt/sulfide carbon / ethyl acetate / 24 h

With sulfuric acid; hydrogen; nitric acid; acetic acid; sulfide carbon; platinum; In ethyl acetate;

DOI:10.1021/jm9801004

Reference yield:

2-amino-4-chloro-5-methylphenol (53524-27-9) → 3,5-Dichloro-2-hydroxy-4-methylaniline (40677-44-9)

Guidance literature:

With acetic anhydride; acetic acid; bei aufeinanderfolgendem Behandeln noch mit SO₂Cl₂ und mit wss.-aethanol.HCl;

upstream raw materials:

2-amino-4-chloro-5-methylphenol

2,4-Dichloro-3-methyl-6-nitro-phenol

2,4-dichloro-3-methylphenol

Downstream raw materials:

2-(2,4-di-tert-pentyl-phenoxy)-butyric acid-(3,5-dichloro-2-hydroxy-4-methyl-anilide)

5,7-dichloro-2-mercapto-6-methylbenzoxazole

(4-amino-phenoxy)-acetic acid-(3,5-dichloro-2-hydroxy-4-methyl-anilide)

{4-[2-(2,4-di-tert-pentyl-phenoxy)-butyrylamino]-phenoxy}-acetic acid-(3,5-dichloro-2-hydroxy-4-methyl-anilide)

Refernces

• 1、 Sato, Yasuo,Yamada, Megumi,Yoshida, Satoshi,Soneda, Tomoko,Ishikawa, Midori,Nizato, Tetsutaro,Suzuki, Kokichi,Konno, Fukio. "Benzoxazole derivatives as novel 5-HT3 receptor partial agonists in the gut". . p. 3015 - 3021. Retrieved 2007/10/03.