4-{[8-(Acryloyloxy)octyl]oxy}benzoic acid

Base Information

• Chemical Name: 4-{[8-(Acryloyloxy)octyl]oxy}benzoic acid
• CAS No.: 140918-54-3
• Molecular Formula: C₁₈H₂₄O₅
• Molecular Weight: 320.386
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50709117
• Nikkaji Number: J2.452.294F
• Wikidata: Q82643867
• Mol file: 140918-54-3.mol

Synonyms:140918-54-3;4-[[8-[(1-Oxo-2-propenyl)oxy]octyl]oxy] benzoic acid;4-(8-prop-2-enoyloxyoctoxy)benzoic acid;4-{[8-(Acryloyloxy)octyl]oxy}benzoic acid;Benzoic acid, 4-[[8-[(1-oxo-2-propen-1-yl)oxy]octyl]oxy]-;4-(8-acryloyloxyoctyloxy)benzoic acid;4-[8-acryloyloxyoctyloxy]benzoic acid;SCHEMBL1531836;4-[[8-[(1-Oxo-2-propenyl)oxy]octyl]oxy]benzoic acid;DTXSID50709117;4-{[8-(Acryloyloxy)octyl]oxy};NILHWSPFJLBSCB-UHFFFAOYSA-N;MFCD23381869;AKOS017342860;4-(8-(1-Oxoallyloxy)octyloxy)benzoic acid

Chemical Property of 4-{[8-(Acryloyloxy)octyl]oxy}benzoic acid

Chemical Property:

• PSA: 72.83000
• LogP: 3.83340
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 320.16237386
• Heavy Atom Count: 23
• Complexity: 358

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)OCCCCCCCCOC1=CC=C(C=C1)C(=O)O

Technology Process of 4-{[8-(Acryloyloxy)octyl]oxy}benzoic acid

There total 4 articles about 4-{[8-(Acryloyloxy)octyl]oxy}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: 98.0%

4-((8-hydroxyoctyl)oxy)-benzoic acid (140918-53-2) + acryloyl chloride (814-68-6,25189-84-8) → 4-(8-acryloyloxyoctyloxy)benzoic acid (140918-54-3)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 30 - 35 ℃; for 1.25h; Product distribution / selectivity;

Reference yield:

4-(8-hydroxy-octyloxy)-benzoic acid methyl ester → 4-(8-acryloyloxyoctyloxy)benzoic acid (140918-54-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; potassium hydroxide

2: triethylamine / tetrahydrofuran / 0 °C

With ethanol; triethylamine; potassium hydroxide; In tetrahydrofuran;

DOI:10.1016/j.reactfunctpolym.2009.12.002

Reference yield:

8-bromooctanol (50816-19-8) → 4-(8-acryloyloxyoctyloxy)benzoic acid (140918-54-3)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide

2: ethanol; potassium hydroxide

3: triethylamine / tetrahydrofuran / 0 °C

With ethanol; potassium carbonate; triethylamine; potassium iodide; potassium hydroxide; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/j.reactfunctpolym.2009.12.002

upstream raw materials:

4-((8-hydroxyoctyl)oxy)-benzoic acid

acryloyl chloride

8-bromooctanol

methyl 4-hydroxylbenzoate