2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide

Base Information

• Chemical Name: 2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide
• CAS No.: 141463-66-3
• Molecular Formula: C11H14 Cl N O
• Molecular Weight: 211.69
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60429415
• Wikidata: Q82242441
• Mol file: 141463-66-3.mol

Synonyms:141463-66-3;2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide;2-Chloro-N-(2-methylphenethyl)acetamide;SCHEMBL23973963;DTXSID60429415;AKOS001274981;CS-0241173;EN300-23170;J-509114;Z147651708

Chemical Property of 2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide

Chemical Property:

• PSA: 32.59000
• LogP: 2.73280
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 211.0763918
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

95% ^*data from raw suppliers

2-Chloro-N-[2-(2-methylphenyl)ethyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CCNC(=O)CCl

Technology Process of 2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide

There total 3 articles about 2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide 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: 100.0%

2-methylphenethylamine (55755-16-3) + chloroacetyl chloride (79-04-9) → 2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide (141463-66-3)

Guidance literature:

With potassium carbonate; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00094a006

Reference yield:

methyl-2 β-nitrostyrene (28638-59-7,34222-71-4) → 2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide (141463-66-3)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: 100 percent / 50percent aq. K₂CO₃ / CH₂Cl₂ / Ambient temperature

With lithium aluminium tetrahydride; potassium carbonate; In diethyl ether; dichloromethane;

DOI:10.1021/jm00094a006

Reference yield:

2-methylphenyl aldehyde (529-20-4) → 2-chloro-N-[2-(2-methylphenyl)ethyl]acetamide (141463-66-3)

Guidance literature:

Multi-step reaction with 3 steps

2: LiAlH₄ / diethyl ether

3: 100 percent / 50percent aq. K₂CO₃ / CH₂Cl₂ / Ambient temperature

With lithium aluminium tetrahydride; potassium carbonate; In diethyl ether; dichloromethane;

DOI:10.1021/jm00094a006

upstream raw materials:

2-methylphenethylamine

chloroacetyl chloride

methyl-2 β-nitrostyrene

2-methylphenyl aldehyde

Downstream raw materials:

(1S,2R)-2-[(1S)-5-methyl-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]cyclohexane-1-carboxylic acid

benzyl (1S,2R)-2-{(1S)-5-methyl-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl}cyclohexane-1-carboxylate