1,3-(Difurfuryl)thiourea

Base Information

• Chemical Name: 1,3-(Difurfuryl)thiourea
• CAS No.: 10248-89-2
• Molecular Formula: C11H12 N2 O2 S
• Molecular Weight: 236.294
• Hs Code.: 2932190090
• European Community (EC) Number: 233-586-3
• NSC Number: 45028
• DSSTox Substance ID: DTXSID50145177
• Nikkaji Number: J227.137K
• ChEMBL ID: CHEMBL1733141
• Mol file: 10248-89-2.mol

Synonyms:1,3-(Difurfuryl)thiourea;10248-89-2;1,3-bis(furan-2-ylmethyl)thiourea;MLS002608684;EINECS 233-586-3;Thiourea, N,N'-bis(2-furanylmethyl)-;1,3-Difurfuryl-2-Thiourea;NSC45028;N,N'-Bis(furfuryl)thiourea;Oprea1_683165;SCHEMBL5448009;CHEMBL1733141;DTXSID50145177;UPLWHRBYCKGWOL-UHFFFAOYSA-N;HMS3078G08;N,N'-Bis(2-furylmethyl)thiourea #;NSC 45028;NSC-45028;STL367556;1,3-bis[(furan-2-yl)methyl]thiourea;AKOS000431144;Thiourea, N,N'-bis(furan-2-ylmethyl)-;SMR001527429;CS-0339774;AB00049107-01

Chemical Property of 1,3-(Difurfuryl)thiourea

Chemical Property:

• Vapor Pressure: 2.1E-05mmHg at 25°C
• Boiling Point: 361.2°Cat760mmHg
• Flash Point: 172.3°C
• PSA: 82.43000
• Density: 1.259g/cm³
• LogP: 2.81870
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.06194880
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

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

N,N-Difurfurylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)CNC(=S)NCC2=CC=CO2

Technology Process of 1,3-(Difurfuryl)thiourea

There total 6 articles about 1,3-(Difurfuryl)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: 97.0%

carbon disulfide (75-15-0,12122-00-8) + furan-2-ylmethanamine (617-89-0) → 1,3-di((furan-2-yl)methyl)thiourea (10248-89-2)

Guidance literature:

In water; at 20 ℃; for 0.833333h; Green chemistry;

DOI:10.1080/00397911.2014.960939

Reference yield: 84.0%

S-methyl N-(2-furanylmethyl)dithiocarbamate (847254-70-0) + 2-(4-methoxy-benzylamino)-3-phenyl-propionic acid ethyl ester (338411-45-3) → (S)-5-benzyl-3-(2-furfuryl)-1-(4-methoxybenzyl)-2-thiohydantoin + 1,3-di((furan-2-yl)methyl)thiourea (10248-89-2)

Guidance literature:

With triethylamine; In ethanol; Heating;

DOI:10.1055/s-2007-967987

Reference yield: 68.0%

morpholine (110-91-8,99108-56-2) + carbon disulfide (75-15-0,12122-00-8) + furan-2-ylmethanamine (617-89-0) → 1,3-di((furan-2-yl)methyl)thiourea (10248-89-2) + N-(furan-2-ylmethyl)morpholine-4-carbothioamide (708994-73-4)

Guidance literature:

morpholine; carbon disulfide; With sodium hydroxide; In water; at 20 ℃; for 1h;

furan-2-ylmethanamine; In water; at 100 ℃; for 10h;

DOI:10.1021/jo1001593

upstream raw materials:

S-methyl N-(2-furanylmethyl)dithiocarbamate

2-(4-methoxy-benzylamino)-3-phenyl-propionic acid ethyl ester

piperidine

carbon disulfide