3-Aminotetrahydrofuran

Base Information

• Chemical Name: 3-Aminotetrahydrofuran
• CAS No.: 104530-79-2
• Molecular Formula: C4H9NO^.C7H8O3S
• Molecular Weight: 87.1216
• Hs Code.: 2932190090
• European Community (EC) Number: 685-688-6
• DSSTox Substance ID: DTXSID00909029
• Mol file: 104530-79-2.mol

Synonyms:3-Aminotetrahydrofuran;88675-24-5;tetrahydrofuran-3-amine;Oxolan-3-amine;Tetrahydro-furan-3-ylamine;3-amino-tetrahydrofuran;45379-55-3;3-FURANAMINE, TETRAHYDRO-;MFCD07778394;(S)-Tetrahydrofuran-3-ylamine;MFCD08234424;MFCD08234425;4-aminotetrahydrofuran;3-aminotetrahydro-furan;tetrahydrofuran-3-ylamine;rac-3-aminotetrahydrofuran;rac-tetrahydrofuran-3-amine;3-Aminotetrahydrofuran, 95%;racemic tetrahydrofuran-3-amine;(+/-)-tetrahydrofuran-3-amine;DTXSID00909029;MIPHRQMEIYLZFZ-UHFFFAOYSA-N;BCP31638;AKOS005172589;CS-W011353;PB10514;PB18852;PB27801;SB10058;SB10060;BP-10910;SY003277;SY020664;SY020665;AM20120276;FT-0600068;FT-0645739;FT-0649171;EN300-98749;(R)-tetrahydrofuran-3-amine;(3R)-oxolan-3-amine;J-511735;Z802544198

Chemical Property of 3-Aminotetrahydrofuran

Chemical Property:

• Boiling Point: 125.6±33.0 °C(Predicted)
• PKA: 8.90±0.20(Predicted)
• PSA: 98.00000
• Density: 0.997±0.06 g/cm3(Predicted)
• LogP: 2.75680
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 87.068413911
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

98% ^*data from raw suppliers

(S)-3-Aminotetrahydrofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC1N

Technology Process of 3-Aminotetrahydrofuran

There total 3 articles about 3-Aminotetrahydrofuran 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:

(3S)-tetrahydrofuran-3-amine hydrochloride (204512-95-8,1185756-83-5,204512-94-7) → (S)-tetrahydrofuran-3-yl-amine (104530-79-2,111769-26-7)

Guidance literature:

With sodium hydroxide; for 0.0833333h;

Reference yield:

tetrahydrofuran-3-one (22929-52-8) → (S)-tetrahydrofuran-3-yl-amine (104530-79-2,111769-26-7) + (3R)-tetrahydro-3-furanamine (111769-26-7)

Guidance literature:

With (S)-1-phenyl-ethylamine; pyridoxal 5'-phosphate; Halomonas elongata amine transaminase D₅E mutant; In aq. phosphate buffer; dimethyl sulfoxide; at 37 ℃; for 2h; pH=8; Reagent/catalyst; enantioselective reaction; Catalytic behavior; Enzymatic reaction;

DOI:10.1039/c8sc05712e

Reference yield:

→ (S)-camphorsulfonate + (S)-tetrahydrofuran-3-yl-amine (104530-79-2,111769-26-7)

Guidance literature:

upstream raw materials:

(3S)-tetrahydrofuran-3-amine hydrochloride

tetrahydrofuran-3-one

Downstream raw materials:

N-(3,4-difluorophenyl)-3-[[(3S)-tetrahydrofuran-3-yl]sulfamoyl]benzamide

N-(4-fluoro-3-methylphenyl)-3-[[(3S)-tetrahydrofuran-3-yl]sulfamoyl]benzamide

Refernces

• 1、 Hegarty, Eimear,Paradisi, Francesca. "Implementation of biocatalysis in continuous flow for the synthesis of small cyclic amines". . p. 890 - 894. Retrieved 2020/12/25.
• 2、 -. "Method of treating arrhythmias". . . Retrieved 2008/06/13.