2-Cyano-3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]alanine methyl ester

Base Information

Chemical Name:2-Cyano-3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]alanine methyl ester
CAS No.:134297-37-3
Molecular Formula:C₁₃H₁₁F₃N₂O₄
Molecular Weight:316.237
Hs Code.:
DSSTox Substance ID:DTXSID501152471

Synonyms:DTXSID501152471;2-Cyano-3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]alanine methyl ester;134297-37-3

Suppliers and Price of 2-Cyano-3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]alanine 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 2-Cyano-3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]alanine methyl ester

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:316.06709132
Heavy Atom Count:22
Complexity:466

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(C#N)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1

Technology Process of 2-Cyano-3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]alanine methyl ester

There total 4 articles about 2-Cyano-3,3,3-trifluoro-N-[(phenylmethoxy)carbonyl]alanine 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:

: 621-84-1
O-benzyl carbamate

: 134297-37-3
(N-Benzoxycarbonyl)-2-cyano-3,3,3-trifluoroalaninmethylester

Guidance literature:: Multi-step reaction with 3 steps

1: 88 percent / CH₂Cl₂

2: 68 percent / trifluoroacetic acid anhydride, pyridine / diethyl ether / 1 h / 0 °C

3: triethylamine / hexane / 2 h / Ambient temperature

With pyridine; triethylamine; trifluoroacetic anhydride; In diethyl ether; hexane; dichloromethane;

Reference yield:

: 129398-24-9
2-benzyloxycarbonylamino-3,3,3-trifluoro-2-hydroxypropionic acid methyl ester

: 134297-37-3
(N-Benzoxycarbonyl)-2-cyano-3,3,3-trifluoroalaninmethylester

Guidance literature:: Multi-step reaction with 2 steps

1: 68 percent / trifluoroacetic acid anhydride, pyridine / diethyl ether / 1 h / 0 °C

2: triethylamine / hexane / 2 h / Ambient temperature

With pyridine; triethylamine; trifluoroacetic anhydride; In diethyl ether; hexane;