4-(2-(Dimethylamino)ethoxy)benzoic acid

Base Information

• Chemical Name: 4-(2-(Dimethylamino)ethoxy)benzoic acid
• CAS No.: 150798-78-0
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID80424563
• Mol file: 150798-78-0.mol

Synonyms:4-(2-(Dimethylamino)ethoxy)benzoic acid;150798-78-0;4-[2-(dimethylamino)ethoxy]benzoic acid;4-(2-Dimethylamino-ethoxy)-benzoic acid;Benzoic acid, 4-[2-(dimethylamino)ethoxy]-;SCHEMBL1981044;DTXSID80424563;MVUIARKPLKVQFN-UHFFFAOYSA-N;AMY10543;BBL012630;MFCD08144701;STK744313;4-(2-dimethylaminoethoxy)benzoic acid;AKOS000103679;SB78473;4-(2-(Dimethylamino)ethoxy)benzoicacid;VS-03421;4-[2-(Dimethylamino)-ethoxy]-benzoic acid;BB 0263139;CS-0300349;FT-0750231;O11061;EN300-6490005

Chemical Property of 4-(2-(Dimethylamino)ethoxy)benzoic acid

Chemical Property:

• Boiling Point: 340℃
• Flash Point: 160℃
• PSA: 49.77000
• Density: 1.145
• LogP: 1.32520
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

4-(2-(Dimethylamino)ethoxy)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCOC1=CC=C(C=C1)C(=O)O

Technology Process of 4-(2-(Dimethylamino)ethoxy)benzoic acid

There total 4 articles about 4-(2-(Dimethylamino)ethoxy)benzoic acid 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: 84.0%

ethyl 4-(dimethylaminoethoxy)benzoate (25773-00-6) → 4-[2-(N,N-dimethylamino)ethoxy]benzoic acid (150798-78-0)

Guidance literature:

With lithium hydroxide monohydrate; water; In methanol; at 40 ℃; for 12h; Inert atmosphere;

Reference yield:

methyl 4-<2-(dimethylamino)ethoxy>benzoate (73119-82-1) → 4-[2-(N,N-dimethylamino)ethoxy]benzoic acid (150798-78-0)

Guidance literature:

With sodium hydroxide; In methanol; for 48h;

DOI:10.1021/jm00374a021

Reference yield:

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-[2-(N,N-dimethylamino)ethoxy]benzoic acid (150798-78-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / NaH / dimethylformamide / 72 h / 80 °C

2: 5 N aq. NaOH / methanol / 48 h

With sodium hydroxide; sodium hydride; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00374a021

upstream raw materials:

methyl 4-<2-(dimethylamino)ethoxy>benzoate

methyl 4-hydroxylbenzoate

ethyl 4-(dimethylaminoethoxy)benzoate

Ethyl 4-hydroxybenzoate

Downstream raw materials:

C₂₅H₃₁F₂N₃O₃

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