methyl 4-(N-Boc-3-aminoprop-1-ynyl)benzoate

Base Information

Chemical Name:methyl 4-(N-Boc-3-aminoprop-1-ynyl)benzoate
CAS No.:203453-81-0
Molecular Formula:C16H19NO4
Molecular Weight:289.331
Hs Code.:
DSSTox Substance ID:DTXSID101149674

Synonyms:203453-81-0;methyl 4-(N-Boc-3-aminoprop-1-ynyl)benzoate;SCHEMBL4816347;RMSVHHKGHLFASS-UHFFFAOYSA-N;DTXSID101149674;DB-172171;Methyl 4-(3-t-butoxycarbonylaminoprop-1-ynyl)benzoate;4-(3-tert-butoxycarbonylaminoprop-1-ynyl)benzoic acid methyl ester;Methyl 4-(3-((tert-butoxycarbonyl)amino)prop-1-yn-1-yl)benzoate;Methyl 4-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-propyn-1-yl]benzoate

Suppliers and Price of methyl 4-(N-Boc-3-aminoprop-1-ynyl)benzoate

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
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price

Total 2 raw suppliers

Chemical Property of methyl 4-(N-Boc-3-aminoprop-1-ynyl)benzoate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:289.13140809
Heavy Atom Count:21
Complexity:430

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of methyl 4-(N-Boc-3-aminoprop-1-ynyl)benzoate

There total 4 articles about methyl 4-(N-Boc-3-aminoprop-1-ynyl)benzoate 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: 67.0%

: 619-44-3
methyl 4-iodobenzoate

: 92136-39-5
N-tert-Butoxycarbonyl-1-amino-3-propyne

: 203453-81-0
methyl 4-(3-((tert-butoxycarbonyl)amino)prop-1-yn-1-yl)benzoate

Guidance literature:: bis-triphenylphosphine-palladium(II) chloride; copper(I) iodide; In piperidine; dichloromethane;

Reference yield: 58.0%

: 619-44-3
methyl 4-iodobenzoate

: 92136-39-5
N-tert-Butoxycarbonyl-1-amino-3-propyne

: 203453-81-0
methyl 4-(3-((tert-butoxycarbonyl)amino)prop-1-yn-1-yl)benzoate

Guidance literature:: With piperidine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; at 20 ℃; Inert atmosphere; Schlenk technique;
DOI:10.1002/cmdc.201700550

Reference yield:

: 619-58-9
4-iodobenzoic acid

: 203453-81-0
methyl 4-(3-((tert-butoxycarbonyl)amino)prop-1-yn-1-yl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: H₂SO₄

2: Pd(PPh₃)4; CuI; Et₃N / acetonitrile

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sulfuric acid; triethylamine; In acetonitrile; 2: Sonogashira coupling;
DOI:10.1016/S0960-894X(03)00117-3