(s)-3-Fluoropyrrolidine hydrochloride

Base Information

• Chemical Name: (s)-3-Fluoropyrrolidine hydrochloride
• CAS No.: 136725-53-6
• Molecular Formula: C₄H₈FN*ClH
• Molecular Weight: 125.574
• Hs Code.: 29339900
• European Community (EC) Number: 628-417-9
• DSSTox Substance ID: DTXSID50584527
• Mol file: 136725-53-6.mol

Synonyms:136725-53-6;(s)-3-fluoropyrrolidine hydrochloride;(S)-(+)-3-Fluoropyrrolidine hydrochloride;(3S)-3-fluoropyrrolidine hydrochloride;(S)-3-FLUOROPYRROLIDINE HCL;(S)-3-FLUORO-PYRROLIDINE HYDROCHLORIDE;(3S)-3-fluoropyrrolidine;hydrochloride;C4H9ClFN;MFCD04038718;Pyrrolidine, 3-fluoro-, hydrochloride (1:1), (3S)-;(S)-3-Fluoropyrrolidine (hydrochloride);(S)-(+)-3-FLUOROPYRROLIDINE, HCL;S-3-fluoropyrrolidine hydrochloride;Pyrrolidine, 3-fluoro-, hydrochloride, (S)-;SCHEMBL717319;DTXSID50584527;(s)-3-fluoropyrrolidinehydrochloride;(S)-3-fluoropyrrolidin hydrochloride;(3S)-3-fluoropyrrolidin hydrochloride;(5)-3-fluoropyrrolidine hydrochloride;AKOS005255415;(S)-3-fluoropyrrolidin-1-ium chloride;CS-W004695;HY-W004695;PS-9190;(S)(+)3-fluoropyrrolidine hydrochloride;(S)-3-floropyrrolidine hydrogen chloride;s-(+)-3-fluoropyrrolidine hydrochloride;(5)-(+)-3-fluoropyrrolidine hydrochloride;(S)-(-)-3-fluoropyrrolidine hydrochloride;AM20080270;(S)-(+)-3-fluoropyrrolidine hydrochloric acid;A26400;EN300-243764;S-(+)-3-Fluoropyrrolidine hydrochloride 98% ee;(S)-(+)-3-Fluoropyrrolidine hydrochloride, 97%;(3S)-3-Fluoropyrrolidine--hydrogen chloride (1/1);J-006898

Chemical Property of (s)-3-Fluoropyrrolidine hydrochloride

Chemical Property:

• Melting Point: 183-187 °C(lit.)
• Boiling Point: 143.8 °C at 760 mmHg
• Flash Point: 40.8 °C
• PSA: 12.03000
• LogP: 1.44860
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 125.0407551
• Heavy Atom Count: 7
• Complexity: 46.8

Purity/Quality:

99% ^*data from raw suppliers

(S)-(+)-3-Fluoropyrrolidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC1F.Cl
• Isomeric SMILES: C1CNC[C@H]1F.Cl
• Uses: (S)-(+)-3-Fluoropyrrolidine, HCl (S)-(+)-3-Fluoropyrrolidine hydrochloride can be employed as a building block for the preparation of: Fluorinated pyrrolidine derivatives of cyclohexylglycine amides as potential inhibitors for dipeptidyl peptidase IV. Fluoropyrrolidine contaning N--ethylurea pyrazole derivatives as potential and selective inhibitors for Trypanosoma brucei and Trypanosoma cruzi parasitic causative agents. Urea derivatives of (S)-2-(3,4-difluorophenyl)-5-(3-fluoro-N-pyrrolidylamido)benzothiazole as potent antitrypanosomal agents. The derived amide acts as an inhibitor of dipeptidyl peptidase IV.1

Technology Process of (s)-3-Fluoropyrrolidine hydrochloride

There total 9 articles about (s)-3-Fluoropyrrolidine 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: 95.6%

tert-butyl 3-fluoropyrrolidine-1-carboxylate (518063-52-0) → 3-fluoropyrrolidine hydrochloride (136725-53-6,169750-17-8,136725-55-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield: 95.6%

tert-butyl (S)-3-fluoropyrrolidine-1-carboxylate (479253-00-4) → (S)-3-fluoropyrrolidine hydrochloride (136725-53-6,169750-17-8,136725-55-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield: 95.6%

(R)-1-N-tert-butoxycarbonyl-3-fluoropyrrolidine (876617-25-3) → (3R)-3-fluoropyrrolidine hydrochloride (136725-53-6,169750-17-8,136725-55-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 0 - 20 ℃; for 1h;

upstream raw materials:

(R)-1-N-tert-butoxycarbonyl-3-fluoropyrrolidine

(S)-N-CBz-3-fluoropyrrolidine

tert-butyl (S)-3-fluoropyrrolidine-1-carboxylate

(3S)-3-fluoropyrrolidine

Refernces

• 1、 -. "Halogen-substituted latrotinib compound". Paragraph 0119; 0122-0123; 0134-0139. . Retrieved 2021/02/10.
• 2、 -. "KRAS G12C INHIBITORS". Paragraph 0247-0248. . Retrieved 2020/03/23.