Benzoic acid, 4-methoxy-, heptyl ester

Base Information

Chemical Name:Benzoic acid, 4-methoxy-, heptyl ester
CAS No.:5452-08-4
Molecular Formula:C15H22 O3
Molecular Weight:250.338
Hs Code.:2918990090
NSC Number:21902
DSSTox Substance ID:DTXSID20281536
Nikkaji Number:J130.540I
Wikidata:Q82015517
Mol file:5452-08-4.mol

Synonyms:Benzoic acid, 4-methoxy-, heptyl ester;p-Methoxybenzoic acid, heptyl ester;5452-08-4;Heptyl 4-methoxybenzoate #;SCHEMBL14373970;DTXSID20281536;OEYMSYGFUQPUKZ-UHFFFAOYSA-N;NSC21902;NSC-21902

Suppliers and Price of Benzoic acid, 4-methoxy-, heptyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Benzoic acid, 4-methoxy-, heptyl ester

Chemical Property:

Vapor Pressure:5.42E-05mmHg at 25°C
Boiling Point:347.3°Cat760mmHg
Flash Point:144.3°C
PSA：35.53000
Density:0.999g/cm³
LogP:3.82240
XLogP3:5.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:250.15689456
Heavy Atom Count:18
Complexity:220

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCOC(=O)C1=CC=C(C=C1)OC

Technology Process of Benzoic acid, 4-methoxy-, heptyl ester

There total 7 articles about Benzoic acid, 4-methoxy-, heptyl 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: 82.0%

: 96-09-3
styrene oxide

: 104-92-7
1-bromo-4-methoxy-benzene

: 111-70-6
n-heptan1ol

: 5452-08-4
n-heptyl 4-methoxybenzoate

: 100-66-3
methoxybenzene

: 108-88-3,15644-74-3,16713-13-6
toluene

Guidance literature:: With sodium fluoride; In 1,4-dioxane; at 150 ℃; for 6h; Reagent/catalyst; Solvent;
DOI:10.1002/chem.201600570

Reference yield: 82.0%

: 96-09-3
styrene oxide

: 104-92-7
1-bromo-4-methoxy-benzene

: 111-70-6
n-heptan1ol

: 5452-08-4
n-heptyl 4-methoxybenzoate

: 100-66-3
methoxybenzene

Guidance literature:: With 5%-palladium/activated carbon; sodium fluoride; In 1,4-dioxane; at 150 ℃; for 6h; Reagent/catalyst; Solvent;
DOI:10.1002/chem.201600570

Reference yield: 74.0%

: 111-70-6
n-heptan1ol

: 100-06-1
1-(4-methoxyphenyl)ethanone

: 5452-08-4
n-heptyl 4-methoxybenzoate

Guidance literature:: With copper(II) choride dihydrate; oxygen; lithium bromide; at 130 ℃; for 10h; under 7500.75 Torr; Autoclave; Green chemistry;
DOI:10.1039/c5cc09146b