Isobutyl p-anisate

Base Information

Chemical Name:Isobutyl p-anisate
CAS No.:27739-28-2
Molecular Formula:C12H16 O3
Molecular Weight:208.257
Hs Code.:2918990090
European Community (EC) Number:248-632-8
NSC Number:67898
UNII:CL196T405F
DSSTox Substance ID:DTXSID40950434
Nikkaji Number:J47.226C
Wikidata:Q63408717
Mol file:27739-28-2.mol

Synonyms:Isobutyl p-anisate;2-methylpropyl 4-methoxybenzoate;27739-28-2;CL196T405F;EINECS 248-632-8;p-Methoxybenzoic acid isobutyl ester;NSC-67898;Benzoic acid, 4-methoxy-, 2-methylpropyl ester;Isobutyl 4-methoxybenzoate;iso-Butyl anisate;4-Methoxybenzoic acid, 2-methylpropyl ester;ANISIC ACID, ISOBUTYL;Isobutyl 4-methoxybenzoate #;UNII-CL196T405F;SCHEMBL1985352;ISOBUTYL P-METHOXYBENZOATE;DTXSID40950434;NSC67898;NSC 67898;P-ANISIC ACID, ISOBUTYL ESTER;PARA-METHOXYBENZOIC ACID ISOBUTYL ESTER;Q63408717

Suppliers and Price of Isobutyl p-anisate

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 8 raw suppliers

Chemical Property of Isobutyl p-anisate

Chemical Property:

Vapor Pressure:0.00169mmHg at 25°C
Boiling Point:293.8°Cat760mmHg
Flash Point:118.9°C
PSA：35.53000
Density:1.034g/cm³
LogP:2.50800
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Heavy Atom Count:15
Complexity:193

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Isobutyl p-anisate

There total 14 articles about Isobutyl p-anisate 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%

: 542-56-3
nitrous acid isobutyl ester

: 121-97-1
4-Methoxypropiophenone

: 27739-28-2
iso-butyl 4-methoxybenzoate

Guidance literature:: 4-Methoxypropiophenone; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

nitrous acid isobutyl ester; In tetrahydrofuran; at -78 - -40 ℃; for 0.25h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.1c01169

Reference yield: 86.0%

: 34301-32-1
2-methyl-2-propenyl-4-methoxybenzoate

: 27739-28-2
iso-butyl 4-methoxybenzoate

Guidance literature:: With triethylsilane; tert.-butylhydroperoxide; cyclohexa-1,4-diene; cobalt acetylacetonate; In propan-1-ol; nonane; at 24 ℃; for 3.5h;
DOI:10.3762/bjoc.14.201