1-(4-Hydroxyphenyl)-2-(methylamino)ethan-1-one hydrochloride

Base Information

• Chemical Name: 1-(4-Hydroxyphenyl)-2-(methylamino)ethan-1-one hydrochloride
• CAS No.: 67828-68-6
• Molecular Formula: C9H12ClNO2
• Molecular Weight: 201.653
• European Community (EC) Number: 267-286-9
• DSSTox Substance ID: DTXSID00886927

Synonyms:67828-68-6;1-(4-Hydroxyphenyl)-2-(methylamino)ethan-1-one hydrochloride;Ethanone, 1-(4-hydroxyphenyl)-2-(methylamino)-, hydrochloride;EINECS 267-286-9;4-Hydroxy-alpha-methylaminoacetophenone, hydrochloride;1-(4-hydroxyphenyl)-2-(methylamino)ethanone hydrochloride;1-(4-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride;Ethanone, 1-(4-hydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1);SCHEMBL6462499;DTXSID00886927;MFCD06150031;AKOS024397410;4-[2-(methylamino)acetyl]phenol hydrochloride;1-(4-Hydroxyphenyl)-2-(methylamino)ethanone HCl

Chemical Property of 1-(4-Hydroxyphenyl)-2-(methylamino)ethan-1-one hydrochloride

Chemical Property:

• Vapor Pressure: 7.68E-05mmHg at 25°C
• Melting Point: 261–263°C
• Boiling Point: 332.2°C at 760 mmHg
• Flash Point: 154.7°C
• PSA: 49.33000
• LogP: 1.98720
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.0556563
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(4-Hydroxyphenyl)-2-(methylamino)ethan-1-one hydrochloride

There total 1 articles about 1-(4-Hydroxyphenyl)-2-(methylamino)ethan-1-one 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: 71.0%

2-chloro-1-(4-chloroacetoxy-phenyl)-ethanone (868746-76-3) + methylamine (74-89-5) → 1-(4-hydroxy-phenyl)-2-methylamino-ethanone; hydrochloride (67828-68-6)

Guidance literature:

In methanol; water; at 20 ℃; for 4.16h;

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + water (7732-18-5) + 1-(4-hydroxy-phenyl)-2-methylamino-ethanone; hydrochloride (67828-68-6) → 4-[N-Boc-2-(methylamino)acetyl]phenol (175531-08-5)

Guidance literature:

With sodium hydroxide; NaHSO₄; In 1,4-dioxane;

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-(4-hydroxy-phenyl)-2-methylamino-ethanone; hydrochloride (67828-68-6) → 4-[N-Boc-2-(methylamino)acetyl]phenol (175531-08-5)

Guidance literature:

With sodium hydroxide; NaHSO₄; In 1,4-dioxane; water;

upstream raw materials:

2-chloro-1-(4-chloroacetoxy-phenyl)-ethanone

methylamine

Downstream raw materials:

4-[N-Boc-2-(methylamino)acetyl]phenol

Benzyl 4-[N-Boc-2-(methylamino)acetyl]phenoxyacetate

benzyl 4-[2-[[[1-[(benzimidazol-2-yl)methyl]benzimidazol-2-yl]methyl]methylamino]acetyl]phenoxyacetate

4-[2-(methylamino)-1-oxoethyl]phenoxyacetic acid benzyl ester hydrochloride

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