2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide

Base Information

Chemical Name:2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide
CAS No.:499774-45-7
Molecular Formula:C₆H₉F₃N₂O
Molecular Weight:182.145
Hs Code.:
DSSTox Substance ID:DTXSID60427416
Nikkaji Number:J532.957D
Wikidata:Q82240070
Mol file:499774-45-7.mol

Synonyms:2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;499774-45-7;AC1ODWRV;SCHEMBL3402629;DTXSID60427416;AKOS017390826;N-[(3R)-Pyrrolidine-3-yl]trifluoroacetamide;2,2,2-Trifluoro-N-(3-pyrrolidinyl)acetamide #;(R)-(+)-2,2,2-Trifluoro-N-(3-pyrrolidinyl)acetamide

Suppliers and Price of 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide

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
(R)-2,2,2-TRIFLUORO-N-(PYRROLIDIN-3-YL) ACETAMIDE 95.00%
5MG
$ 498.75

Total 0 raw suppliers

Chemical Property of 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide

Chemical Property:

PSA：44.62000
LogP:1.19590
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:182.06669740
Heavy Atom Count:12
Complexity:180

Purity/Quality:: (R)-2,2,2-TRIFLUORO-N-(PYRROLIDIN-3-YL) ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNCC1NC(=O)C(F)(F)F
Isomeric SMILES:C1CNC[C@@H]1NC(=O)C(F)(F)F

Technology Process of 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide

There total 1 articles about 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide 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: 100.0%

: 400045-36-5,115445-23-3
N-(1-benzyl-pyrrolidin-3-yl)-2,2,2-trifluoro-acetamide

: 499774-45-7
2,2,2-trifluoro-N-pyrrolidin-3-yl-acetamide

Guidance literature:: With ammonium formate; palladium on activated charcoal; In ethanol; for 2h; Heating;
DOI:10.1016/j.bmcl.2006.06.049

Reference yield:

: 499774-45-7
2,2,2-trifluoro-N-pyrrolidin-3-yl-acetamide

: 5-(4-Ethyl-phenyl)-thiophene-2-carboxylic acid methyl-((S)-1-{(R)-3-[methyl-(2,2,2-trifluoro-ethyl)-amino]-pyrrolidine-1-carbonyl}-pyrrolidin-3-yl)-amide

Guidance literature:: Multi-step reaction with 5 steps

1: 66 percent / TEA / dimethylformamide / 2.5 h / 90 °C

2: 94 percent / BH₃ / tetrahydrofuran / 6 h / Heating

3: 65 percent / BH₃*pyridine / methanol; H₂O / 16 h / 20 °C

4: 100 percent / TFA / CH₂Cl₂ / 1 h / 20 °C

5: EDCI; HOBt; TEA / CH₂Cl₂ / 16 h / 20 °C

With borane pyridine; TEA; borane; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2006.06.049

Reference yield:

: 499774-45-7
2,2,2-trifluoro-N-pyrrolidin-3-yl-acetamide

: 917353-86-7
4'-Ethyl-biphenyl-4-carboxylic acid methyl-{(S)-1-[(R)-3-(2,2,2-trifluoro-acetylamino)-pyrrolidine-1-carbonyl]-pyrrolidin-3-yl}-amide

Guidance literature:: Multi-step reaction with 3 steps

1: 66 percent / TEA / dimethylformamide / 2.5 h / 90 °C

2: 100 percent / TFA / CH₂Cl₂ / 1 h / 20 °C

3: EDCI; HOBt; TEA / CH₂Cl₂ / 16 h / 20 °C

With TEA; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2006.06.049