Tert-butyl 4-methoxybenzoate

Base Information

• Chemical Name: Tert-butyl 4-methoxybenzoate
• CAS No.: 833-79-4
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID40500291
• Nikkaji Number: J898.321F
• Wikidata: Q82351765
• Mol file: 833-79-4.mol

Synonyms:tert-butyl 4-methoxybenzoate;833-79-4;Benzoic acid, 4-methoxy-, 1,1-dimethylethyl ester;t-butyl-4-methoxybenzoate;tert-butyl4-methoxybenzoate;SCHEMBL11064798;DTXSID40500291;AKOS013211646;4-methoxy-benzoic acid tert-butyl ester

Chemical Property of Tert-butyl 4-methoxybenzoate

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Tert-butyl 4-methoxybenzoate

There total 40 articles about Tert-butyl 4-methoxybenzoate 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%

quinolin-8-yl-4-methoxybenzoate (28507-33-7) + tert-butyl alcohol (75-65-0) → t-butyl 4-methoxybenzoate (833-79-4)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 45 ℃; for 17h; Inert atmosphere; Sealed tube;

DOI:10.1055/s-0040-1707187

Reference yield: 95.0%

di-tert-butyl peroxide (110-05-4) + 4-methoxy-benzaldehyde (123-11-5) → t-butyl 4-methoxybenzoate (833-79-4)

Guidance literature:

With copper(I) bromide; In hexane; at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1039/c3ra40246k

Reference yield: 93.0%

4-methoxy-benzoyl chloride (100-07-2) + tert-butyl alcohol (75-65-0) → t-butyl 4-methoxybenzoate (833-79-4)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 68 ℃; for 0.133333h;

DOI:10.3184/030823407X207068

upstream raw materials:

4-methoxy-benzoyl chloride

tert-butyl alcohol

1-bromo-4-methoxy-benzene

tri-(tert-butyl)borate

Downstream raw materials:

4-methoxybenzoic acid

isobutene

(4-methoxyphenyl)(2,5-dimethylphenyl)methanone

tert-butyl 2-[2-(ethoxycarbonyl)prop-2-en-1-yl]-4-methoxybenzoate