Methyl 4-tert-butoxycarbonylmethylbenzoate

Base Information

Chemical Name:Methyl 4-tert-butoxycarbonylmethylbenzoate
CAS No.:219320-15-7
Molecular Formula:C14H18O4
Molecular Weight:250.295
Hs Code.:
DSSTox Substance ID:DTXSID501224854
Nikkaji Number:J1.004.210K
Mol file:219320-15-7.mol

Synonyms:Methyl 4-tert-butoxycarbonylmethylbenzoate;SCHEMBL2650122;RGRJTJQQFNMOMP-UHFFFAOYSA-N;DTXSID501224854;219320-15-7;1,1-Dimethylethyl 4-(methoxycarbonyl)benzeneacetate

Suppliers and Price of Methyl 4-tert-butoxycarbonylmethylbenzoate

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

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Chemical Property of Methyl 4-tert-butoxycarbonylmethylbenzoate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:250.12050905
Heavy Atom Count:18
Complexity:295

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CC1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-tert-butoxycarbonylmethylbenzoate

There total 10 articles about Methyl 4-tert-butoxycarbonylmethylbenzoate 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%

: 540-88-5
acetic acid tert-butyl ester

: 619-42-1
4-methoxycarbonylphenyl bromide

: 219320-15-7
methyl 4-[(tert-butoxycarbonyl)methyl]benzoate

Guidance literature:: acetic acid tert-butyl ester; With lithium hexamethyldisilazane; In toluene; at -78 ℃; for 1h; Inert atmosphere; Sealed tube;

With zinc(II) chloride; In tetrahydrofuran; toluene; at -78 ℃; for 0.5h; Inert atmosphere; Sealed tube;

4-methoxycarbonylphenyl bromide; With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; toluene; at 20 ℃; for 4h; Inert atmosphere; Sealed tube;
DOI:10.1021/jo401476f

Reference yield: 94.0%

: 1694-31-1
tert-butyl acetoacetate

: 619-44-3
methyl 4-iodobenzoate

: 219320-15-7
methyl 4-[(tert-butoxycarbonyl)methyl]benzoate

Guidance literature:: With 2-Picolinic acid; copper(l) iodide; caesium carbonate; In 1,4-dioxane; at 70 ℃; Inert atmosphere;
DOI:10.1016/j.tet.2013.10.017

Reference yield: 94.0%

: 619-42-1
4-methoxycarbonylphenyl bromide

: 51656-70-3
(2-tert-butoxy-2-oxoethyl)zinc(II) bromide

: 219320-15-7
methyl 4-[(tert-butoxycarbonyl)methyl]benzoate

Guidance literature:: With bis(dibenzylideneacetone)-palladium⁽⁰⁾; johnphos; In tetrahydrofuran; at 40 ℃; for 0.5h; Irradiation;
DOI:10.1002/anie.201808654