Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester

Base Information

Chemical Name:Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester
CAS No.:129623-80-9
Molecular Formula:C15H22O3
Molecular Weight:250.338
Hs Code.:
DSSTox Substance ID:DTXSID80439672

Synonyms:129623-80-9;Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester;SCHEMBL1560634;DTXSID80439672;AZGAZHWQNPNDLW-UHFFFAOYSA-N;1,1-Dimethylethyl 4-(4-hydroxybutyl)benzoate

Suppliers and Price of Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl 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 1 raw suppliers

Chemical Property of Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:250.15689456
Heavy Atom Count:18
Complexity:247

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester

There total 3 articles about Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl 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: 100.0%

: 146850-30-8
tert-butyl 4-(4-hydroxy-1-butenyl)benzoate

: 129623-80-9
tert-butyl 4-(4-hydroxybutyl)benzoate

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 4h;
DOI:10.1021/jo00059a016

Reference yield:

: 193265-42-8
1,1-dimethylethyl 4-(4-hydroxy-1-butyn-1-yl)benzoate

: 129623-80-9
tert-butyl 4-(4-hydroxybutyl)benzoate

Guidance literature:: With hydrogen; platinum(IV) oxide; In ethanol; ethyl acetate; at 18 - 25 ℃; for 18h;

Reference yield:

: 65874-27-3
4-(tert-butoxycarbonyl)benzaldehyde

: 129623-80-9
tert-butyl 4-(4-hydroxybutyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 1) NaH / 1) THF, reflux, 4 h, 2) THF, reflux, 1.5 h

2: 100 percent / H₂ / 10percent Pd/C / methanol / 4 h

With hydrogen; sodium hydride; palladium on activated charcoal; In methanol;
DOI:10.1021/jo00059a016