4-(2-Methoxyphenyl)-3-thiosemicarbazide

Base Information

• Chemical Name: 4-(2-Methoxyphenyl)-3-thiosemicarbazide
• CAS No.: 40207-02-1
• Molecular Formula: C8H11N3OS
• Molecular Weight: 197.261
• Hs Code.: 2930909090
• European Community (EC) Number: 674-116-0
• DSSTox Substance ID: DTXSID90353158
• Nikkaji Number: J1.242.767K
• Wikidata: Q82130619
• Mol file: 40207-02-1.mol

Synonyms:4-(2-Methoxyphenyl)-3-thiosemicarbazide;40207-02-1;n-(2-methoxyphenyl)hydrazinecarbothioamide;1-amino-3-(2-methoxyphenyl)thiourea;3-amino-1-(2-methoxyphenyl)thiourea;SCHEMBL458174;DTXSID90353158;4-(2-Methoxyphenyl)thiosemicarbazide;MFCD00041276;AKOS000122634;BS-27976;CS-0207502;FT-0612860;FT-0612865;EN300-03795;F14693;A824977;Z56858251

Chemical Property of 4-(2-Methoxyphenyl)-3-thiosemicarbazide

Chemical Property:

• Vapor Pressure: 0.000214mmHg at 25°C
• Melting Point: 151 °C
• Refractive Index: 1.682
• Boiling Point: 326.6 °C at 760 mmHg
• PKA: 10.36±0.70(Predicted)
• Flash Point: 151.3 °C
• PSA: 91.40000
• Density: 1.311 g/cm³
• LogP: 2.01950
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.06228316
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Methoxyphenyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2-Methoxyphenyl)-3-thiosemicarbazide

There total 9 articles about 4-(2-Methoxyphenyl)-3-thiosemicarbazide 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: 89.0%

1-isothiocyanato-2-methoxybenzene (3288-04-8) → 4-(o-methoxyphenyl)thiosemicarbazide (40207-02-1)

Guidance literature:

With hydrazine; In water; isopropyl alcohol; at 20 ℃; for 0.5h;

DOI:10.1021/jm9014394

Reference yield: 80.0%

hydrazinecarbodithioic acid methyl ester (5397-03-5) + 2-methoxy-phenylamine (90-04-0) → 4-(o-methoxyphenyl)thiosemicarbazide (40207-02-1)

Guidance literature:

DOI:10.1134/S1070363212090137

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 2-methoxy-phenylamine (90-04-0) → 4-(o-methoxyphenyl)thiosemicarbazide (40207-02-1)

Guidance literature:

carbon disulfide; 2-methoxy-phenylamine; With potassium hydroxide; In tetrahydrofuran;

With hydrazine hydrate;

DOI:10.1016/j.ejps.2003.08.002

upstream raw materials:

1-isothiocyanato-2-methoxybenzene

carbon disulfide

2-methoxy-phenylamine

1-(2-methoxyphenyl)thiourea

Downstream raw materials:

pyridine-2-carbaldehyde-[4-(2-methoxy-phenyl)-thiosemicarbazone]

N-(2-methoxyphenyl)-2-(propan-2-ylidene)hydrazine carbothioamide

hydrazine-N,N'-bis-carbothioic acid di-o-anisidide

(2-methoxy-phenyl)-[5-(2-phenyl-quinolin-4-yl)-[1,3,4]thiadiazol-2-yl]-amine

Refernces

• 1、 Zhu, Jiahui,Teng, Guosheng,Li, Dongfeng,Hou, Ruibin,Xia, Yan. "Synthesis and antibacterial activity of novel Schiff bases of thiosemicarbazone derivatives with adamantane moiety". . p. 1534 - 1540. Retrieved 2021/06/16.
• 2、 Mu?lu, Halit. "Synthesis, characterization, and antioxidant activity of some new N 4-arylsubstituted-5-methoxyisatin-β-thiosemicarbazone derivatives". . p. 2083 - 2098. Retrieved 2020/01/13.