1-(4-Benzyloxyphenyl)-2-thiourea

Base Information

• Chemical Name: 1-(4-Benzyloxyphenyl)-2-thiourea
• CAS No.: 65069-53-6
• Molecular Formula: C14H14 N2 O S
• Molecular Weight: 258.34
• Hs Code.: 2930909090
• European Community (EC) Number: 639-399-7
• DSSTox Substance ID: DTXSID30366181
• Wikidata: Q82151301
• Mol file: 65069-53-6.mol

Synonyms:1-(4-Benzyloxyphenyl)-2-thiourea;65069-53-6;1-(4-(benzyloxy)phenyl)thiourea;(4-phenylmethoxyphenyl)thiourea;[4-(benzyloxy)phenyl]thiourea;N-[4-(benzyloxy)phenyl]thiourea;1-[4-(Benzyloxy)phenyl]thiourea;Thiourea,N-[4-(phenylmethoxy)phenyl]-;4-benzyloxyphenyl thiourea;(4-benzyloxyphenyl)thiourea;N-(4-benzyloxyphenyl)thiourea;SCHEMBL3424405;DTXSID30366181;TVUKNBBQSFMNAL-UHFFFAOYSA-N;HMS1748B07;MFCD00060457;STL581758;AKOS000118295;PS-7379;Thiourea, N-[4-(phenylmethoxy)phenyl]-;CS-0232778;FT-0640990;EN300-12866;A834962;SR-01000065936;SR-01000065936-1;Z85923126

Chemical Property of 1-(4-Benzyloxyphenyl)-2-thiourea

Chemical Property:

• Vapor Pressure: 2.27E-07mmHg at 25°C
• Melting Point: 195-197°C
• Boiling Point: 423.2°C at 760 mmHg
• PKA: 13.43±0.70(Predicted)
• Flash Point: 209.8°C
• PSA: 79.37000
• Density: 1.277g/cm³
• LogP: 3.69440
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 258.08268425
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Benzyloxyphenyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)N

Technology Process of 1-(4-Benzyloxyphenyl)-2-thiourea

There total 4 articles about 1-(4-Benzyloxyphenyl)-2-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:

4-benzyloxyphenyl isothiocyanate (139768-71-1) → N-(4-benzyloxyphenyl)thiourea (65069-53-6)

Guidance literature:

With ammonia; In methanol; for 12h;

DOI:10.1016/S0960-894X(01)00102-0

Reference yield:

p-benzyloxyaniline (6373-46-2) → N-(4-benzyloxyphenyl)thiourea (65069-53-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone / Ambient temperature

2: 2.0 N aq. NaOH / tetrahydrofuran / 3 h / Heating

With sodium hydroxide; In tetrahydrofuran; acetone;

DOI:10.1021/jm960785c

Reference yield:

4-benzyloxyaniline hydrochloride (51388-20-6) → N-(4-benzyloxyphenyl)thiourea (65069-53-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaHCO₃ / CHCl₃ / 0.5 h

2: NH₃ / methanol / 12 h

With ammonia; sodium hydrogencarbonate; In methanol; chloroform;

DOI:10.1016/S0960-894X(01)00102-0

upstream raw materials:

4-benzyloxyphenyl isothiocyanate

4-benzyloxyaniline hydrochloride

p-benzyloxyaniline

Downstream raw materials:

1-(4-Benzyloxy-phenyl)-2-methyl-isothiourea; hydriodide

N-(4-Benzyloxy-phenyl)-pyrrolidine-1-carboxamidine

4-benzyloxyphenylcyanamide