(S)-2-(tert-Butoxycarbonylamino)-5-(2-aminophenyl)-4-pentynoic acid methyl ester

Base Information

Chemical Name:(S)-2-(tert-Butoxycarbonylamino)-5-(2-aminophenyl)-4-pentynoic acid methyl ester
CAS No.:835627-46-8
Molecular Formula:C17H22N2O4
Molecular Weight:318.373
Hs Code.:
DSSTox Substance ID:DTXSID101131405
Nikkaji Number:J2.163.123J

Synonyms:DTXSID101131405;(S)-2-(tert-Butoxycarbonylamino)-5-(2-aminophenyl)-4-pentynoic acid methyl ester;Methyl (2S)-5-(2-aminophenyl)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-pentynoate;835627-46-8

Suppliers and Price of (S)-2-(tert-Butoxycarbonylamino)-5-(2-aminophenyl)-4-pentynoic acid methyl ester

Supply Marketing:

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

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Chemical Property of (S)-2-(tert-Butoxycarbonylamino)-5-(2-aminophenyl)-4-pentynoic acid methyl ester

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:318.15795719
Heavy Atom Count:23
Complexity:484

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC#CC1=CC=CC=C1N)C(=O)OC
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CC#CC1=CC=CC=C1N)C(=O)OC

Technology Process of (S)-2-(tert-Butoxycarbonylamino)-5-(2-aminophenyl)-4-pentynoic acid methyl ester

There total 1 articles about (S)-2-(tert-Butoxycarbonylamino)-5-(2-aminophenyl)-4-pentynoic acid methyl 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: 92.0%

: 615-43-0
2-iodophenylamine

: 71460-02-1,173306-82-6
methyl (2S)-2-(tert-butoxycarbonylamino)pent-4-ynoate

: 835627-46-8
methyl (2S)-5-(2-aminophenyl)-2-[(tert-butoxycarbonyl)amino]-4-pentynoate

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diethylamine; In diethyl ether; at 20 ℃; for 2h;
DOI:10.1021/jo0484023

Reference yield:

: 835627-46-8
methyl (2S)-5-(2-aminophenyl)-2-[(tert-butoxycarbonyl)amino]-4-pentynoate

: 1027906-59-7
(S)-2-Amino-5-(2-amino-phenyl)-pent-4-ynoic acid methyl ester

Guidance literature:: With hydrogenchloride; In ethyl acetate; at 20 ℃;
DOI:10.1021/jo0484023

Reference yield:

: 835627-46-8
methyl (2S)-5-(2-aminophenyl)-2-[(tert-butoxycarbonyl)amino]-4-pentynoate

: methyl (2S)-5-(2-aminophenyl)-3,4-dihydro-2H-2-pyrrolecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: HCl / ethyl acetate / 20 °C

2: 240 mg / AgOTf / acetonitrile

With hydrogenchloride; silver trifluoromethanesulfonate; In ethyl acetate; acetonitrile;
DOI:10.1021/jo0484023