Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]-

Base Information

• Chemical Name: Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]-
• CAS No.: 22313-70-8
• Molecular Formula: C17H20N2O2S
• Molecular Weight: 316.424
• DSSTox Substance ID: DTXSID60356818
• Wikidata: Q82136404
• ChEMBL ID: CHEMBL1558265
• Mol file: 22313-70-8.mol

Synonyms:Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]-;HMS2649L05;22313-70-8;MLS000663737;SCHEMBL3822991;CHEMBL1558265;DTXSID60356818;N,N'-bis(4-methoxybenzyl)thiourea;AKOS001060107;UPCMLD0ENAT5216110:001;SMR000293037;AB01209733-01;SR-01000268286;SR-01000268286-1;Z45827284

Chemical Property of Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 316.12454906
• Heavy Atom Count: 22
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)OC

Technology Process of Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]-

There total 5 articles about Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]- 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: 93.0%

carbon disulfide (75-15-0,12122-00-8) + 4-methoxy-benzylamine (2393-23-9) → 1,3-bis(4-methoxyphenylmethyl)thiourea (22313-70-8)

Guidance literature:

With cholin hydroxide; at 20 ℃; Cooling with ice; Ionic liquid;

DOI:10.1080/17415993.2017.1327591

Reference yield:

1-(isothiocyanatomethyl)-4-methoxybenzene (3694-57-3) + 4-methoxy-benzylamine (2393-23-9) → 1,3-bis(4-methoxyphenylmethyl)thiourea (22313-70-8)

Guidance literature:

Reference yield:

(E)-4-methoxybenzaldoxime (3717-21-3,3717-22-4,3235-04-9,140461-28-5,140461-29-6) → 1,3-bis(4-methoxyphenylmethyl)thiourea (22313-70-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; alcohol; sodium amalgam

2: alcohol

With sodium amalgam; ethanol; acetic acid;

upstream raw materials:

carbon disulfide

4-methoxy-benzylamine

1-(isothiocyanatomethyl)-4-methoxybenzene

(E)-4-methoxybenzaldoxime

Downstream raw materials:

2,4-bis-(4-methoxy-benzyl)-3-thioxo-2,3,4,5-tetrahydro-benzo[e][1,3]diazepin-1-one

5-(4-hydroxybenzylidene)-3-(4-methoxybenzyl)-2-(4-methoxybenzylimino)thiazolidin-4-one

2-(4-((3-(4-methoxybenzyl)-2-(4-methoxybenzylimino)-4-oxothiazolidin-5-ylidene)methyl) phenoxy)acetic acid

3-(5-((3-(4-methoxybenzyl)-2-(4-methoxybenzylimino)-4-oxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid