Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester
• CAS No.: 158576-31-9
• Molecular Formula: C16H25NO2
• DSSTox Substance ID: DTXSID70433866
• Nikkaji Number: J733.031F
• Mol file: 158576-31-9.mol

Synonyms:158576-31-9;2-ETHYLHEXYL 4-(METHYLAMINO)BENZOATE;Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester;SCHEMBL4278147;DTXSID70433866;MFCD32206307;AKOS037646353;AS-68325;2-ETHYLHEXYL4-(METHYLAMINO)BENZOATE;CS-0162478;4-(Methylamino)benzoic acid 2-ethylhexyl ester;D80995

Chemical Property of Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 263.188529040
• Heavy Atom Count: 19
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC

Technology Process of Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester

There total 1 articles about Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester 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: 90.0%

2-ethylhexyl 4-(dimethylamino)benzoate (21245-02-3) → 2-ethylhexyl 4-(methylamino)benzoate (158576-31-9)

Guidance literature:

2-ethylhexyl 4-(dimethylamino)benzoate; With 1,4-diaza-bicyclo[2.2.2]octane; rose bengal; acetic acid; In acetonitrile; at 20 ℃; for 4h; Flow reactor; Irradiation;

With sulfuric acid; In methanol; water; at 20 ℃; for 12h;

DOI:10.1002/adsc.201601108

upstream raw materials:

2-ethylhexyl 4-(dimethylamino)benzoate