Benzyl [(tert-butoxycarbonyl)amino]{4-[(trifluoromethanesulfonyl)oxy]phenyl}acetate

Base Information

Chemical Name:Benzyl [(tert-butoxycarbonyl)amino]{4-[(trifluoromethanesulfonyl)oxy]phenyl}acetate
CAS No.:176505-40-1
Molecular Formula:C21H22 F3 N O7 S
Molecular Weight:489.469
Hs Code.:
DSSTox Substance ID:DTXSID10592209
Mol file:176505-40-1.mol

Synonyms:176505-40-1;benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethylsulfonyloxy)phenyl]acetate;(S)-BENZYL 2-(TERT-BUTOXYCARBONYLAMINO)-2-(4-(TRIFLUOROMETHYLSULFONYLOXY)PHENYL)ACETATE;Benzyl [(tert-butoxycarbonyl)amino]{4-[(trifluoromethanesulfonyl)oxy]phenyl}acetate;SCHEMBL4688237;DTXSID10592209;AKOS015969188;5-(Pyridin-4-ylmethylene)-5H-cyclopenta[1,2-b:5,4-b']dipyridine;tert-butoxycarbonylamino-(4-trifluoromethane-sulfonyloxy-phenyl)-acetic acid benzyl ester;Benzyl (2R)-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)(4-{[(Trifluoromethyl)Sulfonyl]Oxy}Phenyl)Acetate

Suppliers and Price of Benzyl [(tert-butoxycarbonyl)amino]{4-[(trifluoromethanesulfonyl)oxy]phenyl}acetate

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

American Custom Chemicals Corporation
(S)-BENZYL-2-(TERT-BUTOXYCARBONYLAMINO)-2-(4-(TRIFLUOROMETHYLSULFONYLOXY)PHENYL)ACETATE 95.00%
10G
$ 4094.48

American Custom Chemicals Corporation
(S)-BENZYL-2-(TERT-BUTOXYCARBONYLAMINO)-2-(4-(TRIFLUOROMETHYLSULFONYLOXY)PHENYL)ACETATE 95.00%
5G
$ 2246.48

American Custom Chemicals Corporation
(S)-BENZYL-2-(TERT-BUTOXYCARBONYLAMINO)-2-(4-(TRIFLUOROMETHYLSULFONYLOXY)PHENYL)ACETATE 95.00%
1G
$ 816.59

Total 5 raw suppliers

Chemical Property of Benzyl [(tert-butoxycarbonyl)amino]{4-[(trifluoromethanesulfonyl)oxy]phenyl}acetate

Chemical Property:

PSA：116.38000
LogP:5.69590
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:489.10690770
Heavy Atom Count:33
Complexity:760

Purity/Quality:

95% ^*data from raw suppliers

(S)-BENZYL-2-(TERT-BUTOXYCARBONYLAMINO)-2-(4-(TRIFLUOROMETHYLSULFONYLOXY)PHENYL)ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl [(tert-butoxycarbonyl)amino]{4-[(trifluoromethanesulfonyl)oxy]phenyl}acetate

There total 4 articles about Benzyl [(tert-butoxycarbonyl)amino]{4-[(trifluoromethanesulfonyl)oxy]phenyl}acetate 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%

: 358-23-6
trifluoromethylsulfonic anhydride

: 145794-17-8
Boc-L-Hpg-OBn

: 176505-40-1
phenylmethyl (2S)-2-[(tert-butoxy)carbonylamino]-2-{4-[(trifluoromethyl)sulfonyloxy]phenyl}acetate

Guidance literature:: With pyridine; In dichloromethane; at -15 ℃; for 0.0833333h;

Reference yield: 35.0%

: 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide

: 145794-17-8
Boc-L-Hpg-OBn

: 176505-40-1
phenylmethyl (2S)-2-[(tert-butoxy)carbonylamino]-2-{4-[(trifluoromethyl)sulfonyloxy]phenyl}acetate

Guidance literature:: With N-ethyl-N,N-diisopropylamine;
DOI:10.1021/jo960077z

Reference yield:

: 69651-48-5
N-tert-butyloxycarbonyl-L-4-hydroxyphenylglycine

: 176505-40-1
phenylmethyl (2S)-2-[(tert-butoxy)carbonylamino]-2-{4-[(trifluoromethyl)sulfonyloxy]phenyl}acetate

Guidance literature:: Multi-step reaction with 2 steps

1.1: caesium carbonate / methanol / 20 °C

1.2: 20 °C

2.1: pyridine / dichloromethane / 0.08 h / -15 °C

With pyridine; caesium carbonate; In methanol; dichloromethane;