4-Chloro-3-[5-[(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid

Base Information

• Chemical Name: 4-Chloro-3-[5-[(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
• CAS No.: 5843-26-5
• Molecular Formula: C4H13 N2 O P
• Molecular Weight: 136.134
• DSSTox Substance ID: DTXSID80412480

Synonyms:5843-26-5;4-chloro-3-[5-[(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid;DTXSID80412480

Chemical Property of 4-Chloro-3-[5-[(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid

Chemical Property:

• Vapor Pressure: 4.87E-12mmHg at 25°C
• Boiling Point: 529.5°C at 760 mmHg
• Flash Point: 274°C
• PSA: 125.99000
• Density: 1.41g/cm³
• LogP: 3.91830
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 351.0444402
• Heavy Atom Count: 23
• Complexity: 463

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=S)NN=CC1=CC=C(O1)C2=C(C=CC(=C2)C(=O)O)Cl

Technology Process of 4-Chloro-3-[5-[(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid

There total 3 articles about 4-Chloro-3-[5-[(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid 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: 30.0%

Diethyl phosphate (598-02-7) + Hexamethylphosphorous triamide (1608-26-0) → diethyl N,N-dimethylphosphoramide (2404-03-7) + tetramethylphosphorodiamidous acid (5843-26-5)

Guidance literature:

In benzene; for 30h; Title compound not separated from byproducts; Heating;

Reference yield: 20.0%

acetylhydroxamic acid (546-88-3) + Hexamethylphosphorous triamide (1608-26-0) → N',N'-dimethylacetohydrazide (6233-04-1) + tetramethylphosphorodiamidous acid (5843-26-5) + N''-Acetyl-N,N,N',N'-tetramethylphosphoric Triamide (125443-45-0)

Guidance literature:

In 1,4-dioxane; at 60 ℃; for 0.5h;

Reference yield: 20.0%

tetramethyldiamidothiophosphoric acid (5909-67-1) + methyloxirane (75-56-9,16033-71-9) → 1-methyl-2-N,N-dimethylaminoethanol (108-16-7,53657-16-2) + tetramethylphosphorodiamidous acid (5843-26-5) + 2-oxo-2-dimethylamino-4-methyl-1,3,2-thiaoxaphospholane (83296-07-5)

Guidance literature:

In 1,4-dioxane; at 100 - 110 ℃; for 4h;

DOI:10.1007/BF00954186

upstream raw materials:

tetramethyldiamidothiophosphoric acid

methyloxirane

Diethyl phosphate

Hexamethylphosphorous triamide

Downstream raw materials:

Thiophosphorsaeure-S-butylester-bis(dimethylamid)

<(Dimethylamino)phenylmethyl>phosphonic Bis(dimethylamide)

C₁₀H₂₃N₂O₂P

3-dimethylamino-crotonic acid ethyl ester

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