4-Amino-2-chloro-6-methylphenol

Base Information

• Chemical Name: 4-Amino-2-chloro-6-methylphenol
• CAS No.: 55411-44-4
• Molecular Formula: C7H8ClNO
• Molecular Weight: 157.6
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID50379036
• Nikkaji Number: J90.268C
• Wikidata: Q82168695
• Mol file: 55411-44-4.mol

Synonyms:4-amino-2-chloro-6-methylphenol;55411-44-4;4-Amino-2-chloro-6-methyl-phenol;3-chloro-4-hydroxy-5-methyl aniline;SCHEMBL655140;DTXSID50379036;2-Methyl-4-amino-6-chlorophenol;MUGBKBNDGIOMPC-UHFFFAOYSA-N;3-chloro-4-hydroxy-5-methylaniline;AKOS005217067;BB 0246792

Chemical Property of 4-Amino-2-chloro-6-methylphenol

Chemical Property:

• PSA: 46.25000
• LogP: 2.51740
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.0294416
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

4-AMINO-2-CHLORO-6-METHYLPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)Cl)N

Technology Process of 4-Amino-2-chloro-6-methylphenol

There total 5 articles about 4-Amino-2-chloro-6-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: 79.0%

2-chloro-4-nitro-6-methylphenol (4102-84-5) → 3-chloro-4-hydroxy-5-methyl aniline (55411-44-4)

Guidance literature:

With acetic acid; zinc; at 20 ℃; for 16h;

Reference yield:

2-methyl-4-nitrophenol (99-53-6) → 3-chloro-4-hydroxy-5-methyl aniline (55411-44-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuryl dichloride / acetic acid / 16 h / Heating; Inert atmosphere

2: zinc; acetic acid / 16 h / 20 °C

With sulfuryl dichloride; acetic acid; zinc; In acetic acid;

Reference yield:

2-chloro-6-methyl-[1,4]benzoquinone-4-oxime (861366-88-3) → 3-chloro-4-hydroxy-5-methyl aniline (55411-44-4)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

upstream raw materials:

2-chloro-6-methyl-[1,4]benzoquinone-4-oxime

2-chloro-6-methyl-[1,4]benzoquinone

ortho-cresol

2-methyl-4-nitrophenol

Downstream raw materials:

2-chloro-6-methyl-[1,4]benzoquinone

3'-chloro-2,4'-dihydroxy-5'-methylbenzanilide

N-(3-chloro-4-hydroxy-5-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazole-2-amine