Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-

Base Information

• Chemical Name: Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-
• CAS No.: 102339-02-6
• Molecular Formula: C₁₁H₁₅N₃O₂S
• Molecular Weight: 253.325
• NSC Number: 663980
• DSSTox Substance ID: DTXSID90144922
• Nikkaji Number: J93.079B
• ChEMBL ID: CHEMBL2002810
• Mol file: 102339-02-6.mol

Synonyms:BRN 2983403;NSC663980;Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-;1,1-Dimethyl-4-(2-carbomethoxyphenyl)-3-thiosemicarbazide;102339-02-6;1,1-Dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thiosemicarbazide;methyl 2-(dimethylaminocarbamothioylamino)benzoate;CHEMBL2002810;DTXSID90144922;LMUKXZWJNISFSJ-UHFFFAOYSA-N;NSC-663980;NCI60_022000;LS-144880;methyl 2(3'-dimethylaminothioureido)benzoate;Methyl 2-(((2,2-dimethylhydrazino)carbothioyl)amino)benzoate;2-[[2,2-Dimethylhydrazino(thiocarbonyl)]amino]benzoic acid methyl ester

Chemical Property of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 253.08849790
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)NC(=S)NC1=CC=CC=C1C(=O)OC

Technology Process of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-

There total 2 articles about Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio- 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:

methyl 2-isothiocyanatobenzoate (16024-82-1) + N,N-Dimethylhydrazine (57-14-7) → methyl 2(3'-dimethylaminothioureido)benzoate (102339-02-6)

Guidance literature:

In ethanol;

Reference yield:

→ methyl 2(3'-dimethylaminothioureido)benzoate (102339-02-6)

Guidance literature:

aus 2-Isothiocyanbenzoesaeuremethylester, N,N-Dimethylhydrazin;

upstream raw materials:

methyl 2-isothiocyanatobenzoate

N,N-Dimethylhydrazine

Refernces