Benzoic acid, 3-methoxy-, butyl ester

Base Information

Chemical Name:Benzoic acid, 3-methoxy-, butyl ester
CAS No.:77201-18-4
Molecular Formula:C12H16O3
Molecular Weight:208.257
Hs Code.:
DSSTox Substance ID:DTXSID30390744
Nikkaji Number:J1.579.511E
ChEMBL ID:CHEMBL3819503

Synonyms:Benzoic acid, 3-methoxy-, butyl ester;77201-18-4;SCHEMBL4450097;CHEMBL3819503;DTXSID30390744;3-Methoxybenzoic acid butyl ester;BQGRZDUSDFGMHU-UHFFFAOYSA-N;AKOS003597318

Suppliers and Price of Benzoic acid, 3-methoxy-, butyl ester

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Benzoic acid, 3-methoxy-, butyl ester

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:208.109944368
Heavy Atom Count:15
Complexity:191

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCOC(=O)C1=CC(=CC=C1)OC

Technology Process of Benzoic acid, 3-methoxy-, butyl ester

There total 14 articles about Benzoic acid, 3-methoxy-, butyl 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: 95.0%

: 591-31-1
3-methoxy-benzaldehyde

: 71-36-3
butan-1-ol

: 77201-18-4
n-butyl 3-methoxybenzoate

Guidance literature:: With {(Pd{Fe(η5-C5H5)(η5-C5H3C(CH3)=NPh)}(μ-Cl))2}; caesium carbonate; benzyl chloride; triphenylphosphine; In tetrahydrofuran; at 70 ℃; for 12h; Inert atmosphere;
DOI:10.1002/aoc.3069

Reference yield: 82.0%

: 6971-51-3
3-methoxybenzyl alcohol

: 71-36-3
butan-1-ol

: 77201-18-4
n-butyl 3-methoxybenzoate

Guidance literature:: With silver(I) hexafluorophosphate; oxygen; palladium diacetate; potassium carbonate; catacxium A; at 80 ℃; for 40h; under 750.075 Torr; chemoselective reaction;
DOI:10.1002/anie.201008035

Reference yield: 80.0%

: 63633-75-0
N-(3-methoxybenzoyl) saccharin

: 109-69-3
n-Butyl chloride

: 77201-18-4
n-butyl 3-methoxybenzoate

Guidance literature:: With dmap; caesium carbonate; In acetonitrile; for 12h; Heating; Sealed tube; Inert atmosphere;
DOI:10.1055/s-0039-1690178