N-(N-Boc--aminoethyl)-N-[(1 thyminyl)acetyl]glycine pentafluorophenyl ester

Base Information

Chemical Name:N-(N-Boc--aminoethyl)-N-[(1 thyminyl)acetyl]glycine pentafluorophenyl ester
CAS No.:139166-81-7
Molecular Formula:C22H23F5N4O7
Molecular Weight:550.439
Hs Code.:
DSSTox Substance ID:DTXSID601100130
Nikkaji Number:J1.325.360I

Synonyms:SCHEMBL5354195;DWYSVPDTBWQWEX-UHFFFAOYSA-N;DTXSID601100130;N-(N-Boc- -aminoethyl)-N-[(1 thyminyl)acetyl]glycine pentafluorophenyl ester;139166-81-7;N-[2-(3,4-Dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)acetyl]-N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]glycine 2,3,4,5,6-pentafluorophenyl ester;N-[2-(tert-Butoxycarbonylamino)ethyl]-N-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidine-1-ylacetyl)glycine pentafluorophenyl ester

Suppliers and Price of N-(N-Boc--aminoethyl)-N-[(1 thyminyl)acetyl]glycine pentafluorophenyl ester

Supply Marketing:

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

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Chemical Property of N-(N-Boc--aminoethyl)-N-[(1 thyminyl)acetyl]glycine pentafluorophenyl ester

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:550.14868990
Heavy Atom Count:38
Complexity:960

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC(=O)OC(C)(C)C)CC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of N-(N-Boc--aminoethyl)-N-[(1 thyminyl)acetyl]glycine pentafluorophenyl ester

There total 8 articles about N-(N-Boc--aminoethyl)-N-[(1 thyminyl)acetyl]glycine pentafluorophenyl 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:

: 20924-05-4
thymidyl acetic acid

: 139166-81-7
{(2-tert-Butoxycarbonylamino-ethyl)-[2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-amino}-acetic acid pentafluorophenyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: DCC / dimethylformamide / a) 0 deg C, 1 h, b) RT, 5 h

2: Et₃N / dimethylformamide / 20 h

3: aq. NaOH / 0.25 h / Ambient temperature

4: DCC / dimethylformamide / a) 0 deg C, 1 h, b) RT, 5 h

With sodium hydroxide; triethylamine; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide;
DOI:10.1021/ja971983b

Reference yield:

: 139166-79-3
1-thyminylacetic acid pentafluorophenyl ester

: 139166-81-7
{(2-tert-Butoxycarbonylamino-ethyl)-[2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetyl]-amino}-acetic acid pentafluorophenyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N / dimethylformamide / 20 h

2: aq. NaOH / 0.25 h / Ambient temperature

3: DCC / dimethylformamide / a) 0 deg C, 1 h, b) RT, 5 h

With sodium hydroxide; triethylamine; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide;
DOI:10.1021/ja971983b