Benzoic acid, 4-(10-undecenyloxy)-

Base Information

• Chemical Name: Benzoic acid, 4-(10-undecenyloxy)-
• CAS No.: 59100-95-7
• Molecular Formula: C18H26O3
• Molecular Weight: 290.403
• DSSTox Substance ID: DTXSID90395396
• Nikkaji Number: J833.019K
• Wikidata: Q82195476
• ChEMBL ID: CHEMBL3273808
• Mol file: 59100-95-7.mol

Synonyms:59100-95-7;4-undec-10-enoxybenzoic Acid;Benzoic acid, 4-(10-undecenyloxy)-;4-(UNDEC-10-EN-1-YLOXY)BENZOIC ACID;4-(10-undecenyloxy)benzenecarboxylic acid;SCHEMBL2622416;CHEMBL3273808;p-(10-undecenyl)oxybenzoic acid;DTXSID90395396;4-(10-Undecenyloxy)benzoic acid;AWUMMWYGOIPYOJ-UHFFFAOYSA-N;4-(10-unde-cenyloxy) benzoic acid;MFCD01568861;AKOS005080904;4-(UNDEC-10-EN-1-YLOXY)BENZOICACID;12N-112

Chemical Property of Benzoic acid, 4-(10-undecenyloxy)-

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 290.18819469
• Heavy Atom Count: 21
• Complexity: 280

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

Technology Process of Benzoic acid, 4-(10-undecenyloxy)-

There total 13 articles about Benzoic acid, 4-(10-undecenyloxy)- 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: 97.0%

4-undec-10-enyloxybenzoic acid methyl ester (59100-35-5) → 4-(10-undecenyloxy)benzoic acid (59100-95-7)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 75 ℃;

DOI:10.1002/hlca.19880710219

Reference yield: 93.0%

4-(undec-10-en-1-yloxy)benzaldehyde (110458-66-7) → 4-(10-undecenyloxy)benzoic acid (59100-95-7)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; recorcinol; In tert-butyl alcohol; at 20 ℃;

DOI:10.1021/ja0028222

Reference yield: 75.0%

1-undecen-11-ylbromide (7766-50-9) + 4-hydroxy-benzoic acid (99-96-7) → 4-(10-undecenyloxy)benzoic acid (59100-95-7)

Guidance literature:

4-hydroxy-benzoic acid; With potassium hydroxide; In ethanol; water; at 80 ℃; for 0.333333h;

1-undecen-11-ylbromide; In ethanol; water; at 80 ℃; for 17h;

With potassium hydroxide; In ethanol; water; at 80 ℃; for 3h;

DOI:10.1002/anie.202015535

upstream raw materials:

4-undec-10-enyloxybenzoic acid methyl ester

10-undecen-1-yl p-toluenesulfonate

4-hydroxy-benzoic acid

4-(undec-10-en-1-yloxy)benzaldehyde

Downstream raw materials:

4-(10'-undecen-1'-yloxy)benzoil chloride

4-<4-(10-undecylenyloxy)phenylcarboxy>benzaldehyde

1,2,3,4-tetra-O-acetyl-6-O-[4-(10-undecenyloxy)benzoyl]-β-D-glucose

C₅₆H₆₆O₈