3-(Trifluoromethyl)pyrrolidine hydrochloride

Base Information

• Chemical Name: 3-(Trifluoromethyl)pyrrolidine hydrochloride
• CAS No.: 1189485-03-7
• Molecular Formula: C5H9ClF3N
• Molecular Weight: 175.581
• Hs Code.: 2933990090
• European Community (EC) Number: 682-932-3
• DSSTox Substance ID: DTXSID90589970
• Mol file: 1189485-03-7.mol

Synonyms:3-(trifluoromethyl)pyrrolidine hydrochloride;1189485-03-7;3-(TRIFLUOROMETHYL)PYRROLIDINE HCL;3-Trifluoromethylpyrrolidine hydrochloride;3-Trifluoromethyl-pyrrolidine hydrochloride;3-(trifluoromethyl)pyrrolidine;hydrochloride;MFCD03452798;3-(Trifluoromethyl)pyrrolidine, HCl;SCHEMBL519722;DTXSID90589970;AR1697;MFCD31743920;MFCD31743921;AKOS015849798;CS-W001319;SB20463;AS-45190;SY042065;SY278822;SY280991;3-(trifluoromethyl)pyrrolidinehydrochloride;DB-356550;AM20100582;EN300-73354;A892786;3-(Trifluoromethyl)pyrrolidine hydrochloride (1:1);J-513124;3-(trifluoromethyl)pyrrolidine hydrochloride, AldrichCPR;3-(Trifluoromethyl)pyrrolidine--hydrogen chloride (1/1);F8888-5966;Z1428159351

Chemical Property of 3-(Trifluoromethyl)pyrrolidine hydrochloride

Chemical Property:

• PSA: 12.03000
• LogP: 2.28900
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.0375615
• Heavy Atom Count: 10
• Complexity: 98.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Trifluoromethyl)-pyrrolidineHCl 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC1C(F)(F)F.Cl

Technology Process of 3-(Trifluoromethyl)pyrrolidine hydrochloride

There total 4 articles about 3-(Trifluoromethyl)pyrrolidine 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: 94.0%

2,2,2-trifluoro-1-(3-(trifluoromethyl)pyrrolidin-1-yl)ethan-1-one → 3-(trifluoromethyl)pyrrolidine hydrochloride (1189485-03-7)

Guidance literature:

With hydrogenchloride; In methanol; water; at 45 ℃;

DOI:10.1021/acs.joc.9b02596

Reference yield: 92.0%

tert-butyl 3-(trifluoromethyl)pyrrolidine-1-carboxylate (644970-40-1) → 3-(trifluoromethyl)pyrrolidine hydrochloride (1189485-03-7)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1002/ejoc.201402158

Reference yield: 87.0%

1-benzyl-3-(trifluoromethyl)pyrrolidine → 3-(trifluoromethyl)pyrrolidine hydrochloride (1189485-03-7)

Guidance literature:

1-benzyl-3-(trifluoromethyl)pyrrolidine; With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 10h; under 7600.51 Torr;

With hydrogenchloride; In methanol; water;

DOI:10.1002/ejoc.201300121

upstream raw materials:

tert-butyl 3-(trifluoromethyl)pyrrolidine-1-carboxylate

Downstream raw materials:

1-{2-fluoro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl}-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Refernces

• 1、 Bugera, Maksym,Trofymchuk, Serhii,Tarasenko, Karen,Zaporozhets, Olga,Pustovit, Yurii,Mykhailiuk, Pavel K.. "Deoxofluorination of Aliphatic Carboxylic Acids: A Route to Trifluoromethyl-Substituted Derivatives". . p. 16105 - 16115. Retrieved 2019/12/24.