2-(Dimethylamino)ethyl 3-methoxyisobutyrate

Base Information

• Chemical Name: 2-(Dimethylamino)ethyl 3-methoxyisobutyrate
• CAS No.: 86177-97-1
• Molecular Formula: C9H19NO3
• Molecular Weight: 189.255
• Hs Code.: 2922509090
• European Community (EC) Number: 289-199-5
• DSSTox Substance ID: DTXSID001006631
• Nikkaji Number: J25.565C
• Mol file: 86177-97-1.mol

Synonyms:2-(Dimethylamino)ethyl 3-methoxyisobutyrate;86177-97-1;EINECS 289-199-5;2-(DIMETHYLAMINO)ETHYL 3-METHOXY-2-METHYLPROPANOATE;SCHEMBL11321310;DTXSID001006631;3-Methoxy-2-methylpropionic acid 2-(dimethylamino)ethyl ester

Chemical Property of 2-(Dimethylamino)ethyl 3-methoxyisobutyrate

Chemical Property:

• Vapor Pressure: 0.0419mmHg at 25°C
• Boiling Point: 238.7°Cat760mmHg
• Flash Point: 98.1°C
• PSA: 38.77000
• Density: 0.972g/cm³
• LogP: 0.37370
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 189.13649347
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC)C(=O)OCCN(C)C

Technology Process of 2-(Dimethylamino)ethyl 3-methoxyisobutyrate

There total 3 articles about 2-(Dimethylamino)ethyl 3-methoxyisobutyrate 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: 77.9%

2-(N,N-dimethylamino)ethanol (108-01-0) + 3-methoxy-2-methylpropionyl chloride (61882-41-5) → N,N-Dimethylaminoethyl 2-methyl-3-methoxypropionate (86177-97-1)

Guidance literature:

With triethylamine;

Reference yield:

3-methoxy-2-methylpropionic acid methyl ester (3852-11-7) → N,N-Dimethylaminoethyl 2-methyl-3-methoxypropionate (86177-97-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 37.8 percent / NaOH / H₂O / 8 h / Heating

2: 74.6 percent / SOCl₂ / 0.5 h / Heating

3: 77.9 percent / triethyl amine

With sodium hydroxide; thionyl chloride; triethylamine; In water;

Reference yield:

3-methoxy-2-methyl propanoic acid (10500-24-0) → N,N-Dimethylaminoethyl 2-methyl-3-methoxypropionate (86177-97-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 74.6 percent / SOCl₂ / 0.5 h / Heating

2: 77.9 percent / triethyl amine

With thionyl chloride; triethylamine;

upstream raw materials:

2-(N,N-dimethylamino)ethanol

3-methoxy-2-methylpropionyl chloride

3-methoxy-2-methyl propanoic acid

3-methoxy-2-methylpropionic acid methyl ester