Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride

Base Information

• Chemical Name: Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride
• CAS No.: 169605-23-6
• Molecular Formula: C₅H₈F₃NO₂*ClH
• Molecular Weight: 207.58
• Hs Code.: 2922499990
• Mol file: 169605-23-6.mol

Synonyms:Butanoicacid, 3-amino-4,4,4-trifluoro-, methyl ester, hydrochloride (9CI)

Chemical Property of Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride

Chemical Property:

• Vapor Pressure: 0.177mmHg at 25°C
• Melting Point: 96-101 °C
• Boiling Point: 208.5°Cat760mmHg
• Flash Point: 79.9°C
• PSA: 52.32000
• Density: g/cm³
• LogP: 1.94140
• Storage Temp.: 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride

There total 1 articles about Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride 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:

methyl 4,4,4-trifluoroacetoacetate (83643-84-9,488711-09-7) → methyl (R,S)-3-amino-4,4,4-trifluorobutyrate hydrochloride (169605-23-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / cation exchange resin Dowex 50 H⁺ form / benzene / Heating

2: 84 percent / Et₃N / 12 h / Heating

3: 2 N aq. HCl / diethyl ether / 2 h / Ambient temperature

With hydrogenchloride; cation exchange resin Dowex 50 H⁺ form; triethylamine; In diethyl ether; benzene;

DOI:10.1016/0040-4020(96)00300-6

Reference yield: 80.0%

(1S,2S)-2-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid benzyl ester (169605-23-6) + (1S,2S)-2-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylic acid (488703-60-2,209128-50-7) → C17H27F3N2O5

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c4cc02136c

Reference yield: 73.0%

(S)-3-amino-4,4,4-trifluorobutyric acid methyl ester hydrochloride (1149677-57-5,169605-23-6) + BOC-O-benzyl-L-serine (23680-31-1) → C20H27F3N2O6 (1458674-57-1)

Guidance literature:

BOC-O-benzyl-L-serine; With 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one; In dichloromethane; at 0 - 20 ℃;

(S)-3-amino-4,4,4-trifluorobutyric acid methyl ester hydrochloride; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/j.tet.2013.08.051

upstream raw materials:

methyl 4,4,4-trifluoroacetoacetate

Downstream raw materials:

C₁₇H₂₇F₃N₂O₅

C₂₀H₂₇F₃N₂O₆

rac-methyl 3-[({8-[(2,6-difluorobenzyl)oxy]-2-methylimidazo[1,2-a]pyridin-3-yl}carbonyl)amino]-4,4,4-trifluorobutanoate

Refernces