4-Methoxybenzaldehyde thiosemicarbazone

Base Information

• Chemical Name: 4-Methoxybenzaldehyde thiosemicarbazone
• CAS No.: 4334-74-1
• Molecular Formula: C9H11N3OS
• Molecular Weight: 209.272
• NSC Number: 712
• ChEMBL ID: CHEMBL398206
• Mol file: 4334-74-1.mol

Synonyms:4-Methoxybenzaldehyde thiosemicarbazone;4334-74-1;{[(4-methoxyphenyl)methylidene]amino}thiourea;219712-86-4;Anisaldehyde thiosemicarbazone;Anisaldehyde, thiosemicarbazone;[(E)-(4-methoxyphenyl)methylideneamino]thiourea;CHEMBL398206;NSC712;p-Anisaldehyde, thiosemicarbazone;NSC 712;2-(4-methoxybenzylidene)hydrazine-1-carbothioamide;[2-(4-Methoxybenzylidene)hydrazono](amino)methanethiol;Hydrazinecarbothioamide, 2-[(4-methoxyphenyl)methylene]-;TB II/242;WLN: SUYZMNU1R DO1;MLS000779407;SCHEMBL5614424;NSC-712;HMS1784E02;BDBM50356193;MFCD00456392;STK721925;AKOS000271196;p-Methoxybenzaldehyde thiosemicarbazone;NCGC00246388-01;SMR000416179;CS-0320066;[(E)-(4-methoxyphenyl)methyleneamino]thiourea;EN300-15671;2-(4-Methoxybenzylidene)Hydrazinecarbothioamide;AE-641/00644012;SR-01000197267;N'-(4-methoxybenzylidene)carbamohydrazonothioic acid;SR-01000197267-1;(2E)-2-(4-methoxybenzylidene)hydrazinecarbothioamide;Z49561621

Chemical Property of 4-Methoxybenzaldehyde thiosemicarbazone

Chemical Property:

• Vapor Pressure: 3.3E-05mmHg at 25°C
• Boiling Point: 354.6°Cat760mmHg
• Flash Point: 168.3°C
• PSA: 91.73000
• Density: 1.23g/cm³
• LogP: 1.95350
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 209.06228316
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

99%min ^*data from raw suppliers

2-(4-METHOXYBENZYLIDENE)HYDRAZINE-1-CARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=NNC(=S)N
• Isomeric SMILES: COC1=CC=C(C=C1)/C=N/NC(=S)N

Technology Process of 4-Methoxybenzaldehyde thiosemicarbazone

There total 10 articles about 4-Methoxybenzaldehyde thiosemicarbazone 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: 98.0%

4-methoxy-benzaldehyde (123-11-5) + thiosemicarbazide (79-19-6) → (2E)-2-[(4-methoxyphenyl)methylidene]hydrazine-1-carbothioamide (4334-74-1)

Guidance literature:

With acetic acid; In water; for 0.333333h; Further Variations:; Reagents; Solvents; Temperatures; Product distribution; ultrasound irradiation;

DOI:10.1016/j.tetlet.2007.12.103

Reference yield: 92.0%

4-methoxy-benzaldehyde (123-11-5) + thiosemicarbazide (79-19-6) → 4-methoxybenzylidene thiosemicarbazone (4334-74-1)

Guidance literature:

With acetic acid; In ethanol; at 65 ℃; for 2h;

DOI:10.1002/bkcs.11248

Reference yield: 85.0%

2,4-bis(p-methoxyphenyl)-3-azabicyclo<3.3.1>nonan-9-one (78255-58-0,93921-31-4,104873-87-2,34025-61-1) + thiosemicarbazide (79-19-6) → 4-methoxybenzylidene thiosemicarbazone (4334-74-1) + C23H28N4O2S (1228657-85-9)

Guidance literature:

In ethanol; chloroform; at 80 ℃; for 3h; Acidic conditions;

DOI:10.1016/j.bmcl.2009.03.093

upstream raw materials:

4-methoxy-benzaldehyde

N,N-bis(4-methoxybenzylidene)hydrazine

thiosemicarbazide

ethyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Downstream raw materials:

4-methoxy-benzaldehyde-thiazol-2-ylhydrazone

5-methyl-thiazolidine-2,4-dione-2-(4-methoxy-benzylidenehydrazone)

5-(2-chloro-benzylidene)-thiazolidine-2,4-dione-2-(4-methoxy-benzylidenehydrazone)

5-(4-methoxybenzylidene)thiazolidine-2,4-dione

Refernces

• 1、 Chen, Liang-Hua,Hu, Yong-Hua,Song, Wei,Song, Kang-Kang,Liu, Xuan,Jia, Yu-Long,Zhuang, Jiang-Xing,Chen, Qing-Xi. "Synthesis and antityrosinase mechanism of benzaldehyde thiosemicarbazones: Novel tyrosinase inhibitors". . p. 1542 - 1547. Retrieved 2012.
• 2、 Bahadur, Ali,Iqbal, Shahid,Ujan, Rabail,Channar, Pervaiz Ali,AL-Anazy, Murefah Mana,Saeed, Aamer,Mahmood, Qaiser,Shoaib, Muhammad,Shah, Mazloom,Arshad, Ifzan,Shabir, Ghulam,Saifullah, Muhammad,Liu, Guocong,Qayyum, Muhammad Abdul. "Effect of organic solvents on solvatochromic, fluorescence, and electrochemical properties of synthesized thiazolylcoumarin derivatives". . p. 1189 - 1197. Retrieved 2021/04/16.
• 3、 Cao, Lian-Gong,Cao, Zhi-Ling,Chen, Chao,Jiang, Kai-Jun,Liu, Shu-Hao,Liu, Wei-Wei,Ruan, Xin-Chi,Shao, Zhong-Bai,Shi, Da-Hua,Su, Zi-Qin,Wang, You-Xian,Wu, Yu-Ran,Wu, Yu-Yu. "Synthesis of Emodin Amide Derivatives Containing 1,3,4-Thiadiazole and Their Inhibitory Activity on Vibrio harveyi". . p. 281 - 286. Retrieved 2021/08/05.