beta-Acetyloxy-beta-phenylethyl dimethylamine

Base Information

• Chemical Name: beta-Acetyloxy-beta-phenylethyl dimethylamine
• CAS No.: 66827-45-0
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID80985402
• Nikkaji Number: J69.583A
• Mol file: 66827-45-0.mol

Synonyms:66827-45-0;BRN 2723919;beta-Acetyloxy-beta-phenylethyl dimethylamine;beta-Acetoxy-N,N-dimethylphenethylamine;Phenethylamine, beta-acetoxy-N,N-dimethyl-;N,N-Dimethyl beta-acetoxy beta-phenylethylamine;Acetic acid, alpha-(dimethylaminomethyl)benzyl ester;2-13-00-00361 (Beilstein Handbook Reference);DTXSID80985402;LS-103088;2-(DIMETHYLAMINO)-1-PHENYLETHYL ACETATE;Acetic acid alpha-(dimethylaminomethyl)benzyl ester;Benzenemethanol, .alpha.-[(dimethylamino)methyl]-, acetate (ester)

Chemical Property of beta-Acetyloxy-beta-phenylethyl dimethylamine

Chemical Property:

• Vapor Pressure: 0.00344mmHg at 25°C
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 282°C at 760 mmHg
• Flash Point: 100.8°C
• PSA: 29.54000
• Density: 1.037g/cm³
• LogP: 1.85240
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(CN(C)C)C1=CC=CC=C1

Technology Process of beta-Acetyloxy-beta-phenylethyl dimethylamine

There total 7 articles about beta-Acetyloxy-beta-phenylethyl dimethylamine 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-dimethylamino-1-phenyl-ethanone (3319-03-7) → acetic acid-(2-dimethylamino-1-phenyl-ethyl ester) (66827-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄, aq. NaOH / methanol

2: 4 h / Heating

With sodium hydroxide; sodium tetrahydroborate; In methanol;

Reference yield:

α-bromoacetophenone (70-11-1) → acetic acid-(2-dimethylamino-1-phenyl-ethyl ester) (66827-45-0)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol

2: NaBH₄, aq. NaOH / methanol

3: 4 h / Heating

With sodium hydroxide; sodium tetrahydroborate; In methanol;

Reference yield:

bromobenzene (108-86-1,52753-63-6) → acetic acid-(2-dimethylamino-1-phenyl-ethyl ester) (66827-45-0)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) nBuLi, THF, (ii) /BRN= 1761302/

2: LiAlH₄ / tetrahydrofuran

With lithium aluminium tetrahydride; In tetrahydrofuran;

upstream raw materials:

2-dimethylamino-1-phenylethanol

acetic anhydride

acetyl chloride

2-(N,N-Dimethylamino)-1-phenylethanol Hydrochloride

Downstream raw materials:

N,N-dimethylphenethylamine

Refernces