1-(Tetrahydrofuran-2-ylmethyl)thiourea

Base Information

• Chemical Name: 1-(Tetrahydrofuran-2-ylmethyl)thiourea
• CAS No.: 66892-25-9
• Molecular Formula: C₆H₁₂N₂OS
• Molecular Weight: 160.24
• European Community (EC) Number: 673-671-6
• DSSTox Substance ID: DTXSID40985504
• Nikkaji Number: J2.513.999B
• Mol file: 66892-25-9.mol

Synonyms:66892-25-9;1-(2-Tetrahydrofurfuryl)-2-thiourea;oxolan-2-ylmethylthiourea;1-(tetrahydrofuran-2-ylmethyl)thiourea;n-(tetrahydrofuran-2-ylmethyl)thiourea;[(oxolan-2-yl)methyl]thiourea;[(Tetrahydrofuran-2-yl)methyl]thiourea;1-(2-oxolanylmethyl)-2-thiourea;starbld0017735;SCHEMBL1962256;DTXSID40985504;HMS1765D04;BQB19848;BBL007284;MFCD00060498;STL141723;AKOS005198714;(2-methyltetrahydrofuran-2-yl)thiourea;BS-3874;1-((tetrahydrofuran-2-yl)methyl)thiourea;N-[(tetrahydro-2-furanyl)methyl]-Thiourea;CS-0220112;FT-0641096;T3413;Thiourea,N-[(tetrahydro-2-furanyl)methyl]-;EN300-05780;D92698;N-[(Oxolan-2-yl)methyl]carbamimidothioic acid;1-(2-tetrahydrofurfuryl)-2-thiourea, AldrichCPR;A835574;Z56911928

Chemical Property of 1-(Tetrahydrofuran-2-ylmethyl)thiourea

Chemical Property:

• Vapor Pressure: 0.00416mmHg at 25°C
• Melting Point: 78-80 °C
• Refractive Index: 1.563
• Boiling Point: 278.9 °C at 760 mmHg
• Flash Point: 122.4 °C
• PSA: 79.37000
• Density: 1.188 g/cm³
• LogP: 1.08980
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 160.06703418
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Tetrahydrofurfuryl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(OC1)CNC(=S)N
• Uses: 1-(2-Tetrahydrofurfuryl)-2-thiourea is a very useful synthetic intermediate. It is used as a reagent to synthesize antioxidant response-element(ARE) inducers.

Technology Process of 1-(Tetrahydrofuran-2-ylmethyl)thiourea

There total 7 articles about 1-(Tetrahydrofuran-2-ylmethyl)thiourea 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%

N-({[(2R)-tetrahydrofuran-2-ylmethyl]amino}carbonothioyl)benzamide (1228653-58-4) → (R)-1-((tetrahydrofuran-2-yl)methyl)thiourea (1001198-48-6,66892-25-9)

Guidance literature:

With potassium methanolate; In methanol; for 0.5h; Product distribution / selectivity; Reflux;

Reference yield: 60.0%

→ 1-((tetrahydrofuran-2-yl)methyl)thiourea (66892-25-9)

Guidance literature:

With potassium carbonate; In ethanol; for 4h; Reflux;

Reference yield: 47.0%

Benzoyl isothiocyanate (532-55-8) + (tetrahydro-3-furanyl)methylamine (165253-31-6,1048962-84-0) → 1-((tetrahydrofuran-2-yl)methyl)thiourea (66892-25-9)

Guidance literature:

Benzoyl isothiocyanate; (tetrahydro-3-furanyl)methylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere; Cooling with ice;

With potassium carbonate; In water; at 20 ℃;

upstream raw materials:

TETRAHYDROFURFURYLAMINE

tetrahydrofurfuryl isothiocyanate

C₆H₁₁NOS₂

Benzoyl isothiocyanate

Refernces

• 1、 -. "COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA". Page/Page column 73; 74. . Retrieved 2014/10/15.
• 2、 -. "A PROCESS FOR THE PREPARATION OF 3- [ (2R) TETRAHYDROFURAN-2- YLMETHYL] -2-THIOXO-L, 2, 3, 7-TETRAHYDRO-6H-PURIN-6-ONE". Page/Page column 12. . Retrieved 2010/07/02.