2-Amino-6-methylphenol hydrochloride

Base Information

• Chemical Name: 2-Amino-6-methylphenol hydrochloride
• CAS No.: 78886-51-8
• Molecular Formula: C₇H₉NO*ClH
• Molecular Weight: 159.615
• DSSTox Substance ID: DTXSID50501012
• NSC Number: 50753
• Mol file: 78886-51-8.mol

Synonyms:2-AMINO-6-METHYLPHENOL HYDROCHLORIDE;78886-51-8;2-amino-6-methylphenol;hydrochloride;MFCD21364897;2-Amino-6-methylphenol HCl;SCHEMBL6570703;DTXSID50501012;NSC50753;NSC-50753;BS-39769;SY317566;2-AMINO-6-METHYLPHENOLHYDROCHLORIDE;CS-0186547;E74613;2-Amino-6-methylphenol--hydrogen chloride (1/1);A812205;2-amino-6-methyl-phenol hydrochloride;6-Amino-2-methylphenol

Chemical Property of 2-Amino-6-methylphenol hydrochloride

Chemical Property:

• Boiling Point: 232.9°Cat760mmHg
• Flash Point: 94.7°C
• Density: 1.157g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 159.0450916
• Heavy Atom Count: 10
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-6-methylphenol hydrochloride

There total 7 articles about 2-Amino-6-methylphenol hydrochloride 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: 81.0%

3-t-butyloxycarbonylamino-2-hydroxytoluene (440359-60-4) → 2-methyl-6-aminophenol hydrochloride (78886-51-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 1h;

DOI:10.1002/jhet.5570390124

Reference yield:

2,3-dihydro-7-methyl-3H-benzoxazole-2-one (40925-60-8) → 2-methyl-6-aminophenol hydrochloride (78886-51-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 99 percent / triethylamine; 4-dimethylaminopyridine / tetrahydrofuran / 2 h / 20 °C

2: 99 percent / cesium carbonate / methanol; tetrahydrofuran / 2 h / 60 °C

3: 81 percent / aq. HCl / dioxane / 1 h / 20 °C

With hydrogenchloride; dmap; caesium carbonate; triethylamine; In tetrahydrofuran; 1,4-dioxane; methanol;

DOI:10.1002/jhet.5570390124

Reference yield:

3-methylsalicylic acid (83-40-9) → 2-methyl-6-aminophenol hydrochloride (78886-51-8)

Guidance literature:

Multi-step reaction with 7 steps

1.1: triethylamine / acetone / 1 h / 0 °C

2.1: aq. sodium azide / acetone / 2 h / 0 °C

2.2: benzene / 1 h / 70 °C

3.1: 1 h / 55 °C

4.1: 53 percent / lithium hydroxide monohydrate / tetrahydrofuran; methanol; H₂O / 3 h / 60 °C

5.1: 99 percent / triethylamine; 4-dimethylaminopyridine / tetrahydrofuran / 2 h / 20 °C

6.1: 99 percent / cesium carbonate / methanol; tetrahydrofuran / 2 h / 60 °C

7.1: 81 percent / aq. HCl / dioxane / 1 h / 20 °C

With hydrogenchloride; dmap; lithium hydroxide; sodium azide; caesium carbonate; triethylamine; In tetrahydrofuran; 1,4-dioxane; methanol; water; acetone;

DOI:10.1002/jhet.5570390124

upstream raw materials:

3-t-butyloxycarbonylamino-2-hydroxytoluene

2,3-dihydro-7-methyl-3H-benzoxazole-2-one

3-methylsalicylic acid

3-t-butyloxycarbonyl-2,3-dihydro-7-methyl-3H-benzoxazole-2-one