(2-Methoxyphenyl)thiourea

Base Information

• Chemical Name: (2-Methoxyphenyl)thiourea
• CAS No.: 1516-37-6
• Molecular Formula: C8H10N2OS
• Molecular Weight: 182.246
• Hs Code.: 29309090
• NSC Number: 523842
• UNII: XUU985ZMA2
• DSSTox Substance ID: DTXSID20164810
• Nikkaji Number: J40.767D
• ChEMBL ID: CHEMBL1095046
• Mol file: 1516-37-6.mol

Synonyms:(2-Methoxyphenyl)thiourea;1516-37-6;1-(2-methoxyphenyl)thiourea;1-(2-Methoxyphenyl)-2-thiourea;n-(2-methoxyphenyl)thiourea;o-Methoxyphenylthiourea;N-(o-Methoxyphenyl)thiourea;1-(o-Methoxyphenyl)thiourea;Thiourea, (2-methoxyphenyl)-;2-Methoxyphenyl thiourea;Urea, 1-(o-methoxyphenyl)-2-thio-;1-(o-Methoxyphenyl)-2-thiourea;2-methoxyphenylthiourea;Thiourea, N-(2-methoxyphenyl)-;Thiourea, (methoxyphenyl)-;NSC 523842;BRN 0778949;XUU985ZMA2;C8H10N2OS;AI3-61348;MFCD00022162;NSC-523842;3-13-00-00813 (Beilstein Handbook Reference);(2-methoxy-phenyl)-thiourea;NSC523842;Maybridge1_008948;WLN: SUYZMR BO1;2-THIOUREIDOANISOLE;UNII-XUU985ZMA2;Amino[(2-methoxyphenyl)amino]methane-1-thione;SCHEMBL1396138;CHEMBL1095046;(O-METHOXYPHENYL)THIOUREA;HMS566O16;DTXSID20164810;CHEBI:194975;AMY14945;BAA51637;CCG-47302;FD7366;STK107377;AKOS000476882;PS-5467;SDCCGMLS-0064695.P001;1-(2-Methoxyphenyl)-2-thiourea, 99%;AC-25142;SY038446;UPCMLD0ENAT0517-5428:001;LS-160447;CS-0143650;FT-0605550;M3158;EN300-17322;A809202;SR-01000636927;SR-01000636927-1;SR-01000636927-2;Z56921372

Chemical Property of (2-Methoxyphenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.000729mmHg at 25°C
• Melting Point: 155-157 °C
• Refractive Index: 1.677
• Boiling Point: 307.344 °C at 760 mmHg
• PKA: 13.27±0.70(Predicted)
• Flash Point: 139.677 °C
• PSA: 79.37000
• Density: 1.287 g/cm³
• LogP: 2.12400
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.05138412
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

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

(2-Methoxyphenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1NC(=S)N

Technology Process of (2-Methoxyphenyl)thiourea

There total 20 articles about (2-Methoxyphenyl)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: 96.0%

N-benzoyl- N′-(2-methoxyphenyl)thiourea (21258-10-6) → 1-(2-methoxyphenyl)thiourea (1516-37-6)

Guidance literature:

With hydrazine; at 25 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2005.06.135

Reference yield: 84.57%

potassium thioacyanate (333-20-0) + 2-methoxy-phenylamine (90-04-0) → 1-(2-methoxyphenyl)thiourea (1516-37-6)

Guidance literature:

With trifluoroacetic acid; In acetic acid butyl ester; at 80 ℃; for 17h;

Reference yield: 28.74%

ammonium thiocyanate (1147550-11-5) + 2-methoxy-phenylamine (90-04-0) → 1-(2-methoxyphenyl)thiourea (1516-37-6)

Guidance literature:

ammonium thiocyanate; 2-methoxy-phenylamine; With hydrogenchloride; In water; for 1h; Heating;

Heating;

DOI:10.1007/s00044-016-1697-5

upstream raw materials:

1-isothiocyanato-2-methoxybenzene

N-(2-Methoxy-phenyl)-N'-(tert.-butyl)-thioharnstoff

N-benzoyl- N′-(2-methoxyphenyl)thiourea

ammonium thiocyanate

Downstream raw materials:

(2-methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine

3-(2-methoxy-phenyl)-6-nitro-3H-thiazolo[4,5-b]quinoxalin-2-ylideneamine

(2-methoxy-phenyl)-(6-nitro-thiazolo[4,5-b]quinoxalin-2-yl)-amine

7-chloro-3-(2-methoxy-phenyl)-3H-thiazolo[4,5-b]quinoxalin-2-ylideneamine

Refernces

• 1、 Feng et al.. "-". . p. 2115. Retrieved 1960.
• 2、 Mahdavi, Mohammad,Saeedi, Mina,Nadri, Hamid,Eghtedari, Mohammad,Gholizadeh, Sama,Hariri, Roshanak,Akbarzadeh, Tahmineh. "Synthesis of thiazolone derivatives as novel soybean 15-LOX inhibitors". . p. 186 - 191. Retrieved 2017/06/21.