Hydrazinecarboxylic acid, 2-[(phenylamino)carbonyl]-, ethyl ester

Base Information

• Chemical Name: Hydrazinecarboxylic acid, 2-[(phenylamino)carbonyl]-, ethyl ester
• CAS No.: 17696-94-5
• Molecular Formula: C10H13 N3 O3
• Molecular Weight: 223.232
• Hs Code.: 2928000090
• European Community (EC) Number: 241-700-8
• DSSTox Substance ID: DTXSID0066248
• Nikkaji Number: J287.127K
• Wikidata: Q81992833
• ChEMBL ID: CHEMBL396315
• Mol file: 17696-94-5.mol

Synonyms:17696-94-5;ethyl N-(phenylcarbamoylamino)carbamate;Hydrazinecarboxylic acid, 2-[(phenylamino)carbonyl]-, ethyl ester;ethyl 2-(phenylcarbamoyl)hydrazinecarboxylate;ethyl 2-(anilinocarbonyl)hydrazinecarboxylate;Ethyl 3-(N-phenylcarbamoyl)carbazate;EINECS 241-700-8;Hydrazinecarboxylic acid, 2-((phenylamino)carbonyl)-, ethyl ester;CHEMBL396315;DTXSID0066248;SCHEMBL10419324;1-Ethoxycarbonyl-4-phenylsemicarbazide;AKOS001214033;1-ethoxycarbonyl-4-phenyl semicarbazide;ethyl2-(phenylcarbamoyl)hydrazinecarboxylate;FT-0652635;1-(ETHOXYCARBONYL)-4-PHENYLSEMICARBAZIDE;N-[(PHENYLCARBAMOYL)AMINO]ETHOXYFORMAMIDE;A812224;N-(phenyl-carbamoylamino)-carbamic acid ethyl ester;[2-[(Phenylamino)carbonyl]hydrazino]formic acid ethyl ester

Chemical Property of Hydrazinecarboxylic acid, 2-[(phenylamino)carbonyl]-, ethyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 86.44000
• Density: 1.263g/cm³
• LogP: 2.07810
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 223.09569129
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

1-(ETHOXYCARBONYL)-4-PHENYLSEMICARBAZIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NNC(=O)NC1=CC=CC=C1

Technology Process of Hydrazinecarboxylic acid, 2-[(phenylamino)carbonyl]-, ethyl ester

There total 5 articles about Hydrazinecarboxylic acid, 2-[(phenylamino)carbonyl]-, ethyl ester 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: 95.0%

phenyl isocyanate (103-71-9) + ethylhydrazine carboxylate (4114-31-2) → ethyl 2-(tert-butylcarbamoyl)hydrazine-1-carboxylate (17696-94-5)

Guidance literature:

for 0.0333333h; microwave irradiation;

DOI:10.1007/s00706-003-0012-6

Reference yield: 41.0%

4-nitrophenyl-N-phenyl carbamate (6320-72-5) + ethylhydrazine carboxylate (4114-31-2) → ethyl 2-(tert-butylcarbamoyl)hydrazine-1-carboxylate (17696-94-5)

Guidance literature:

In tetrahydrofuran; for 8h; Heating;

DOI:10.1080/00397910701316862

Reference yield: 24.0%

1-ethyl 2-phenyl hydrazine-1,2-dicarboxylate (85210-15-7) + aniline (62-53-3) → ethyl 2-(tert-butylcarbamoyl)hydrazine-1-carboxylate (17696-94-5)

Guidance literature:

In acetonitrile; at 82 ℃; for 5h;

DOI:10.1016/j.tetlet.2014.06.091

upstream raw materials:

phenyl isocyanate

ethylhydrazine carboxylate

4-nitrophenyl-N-phenyl carbamate

1-ethyl 2-phenyl hydrazine-1,2-dicarboxylate

Downstream raw materials:

4-Phenylurazole

C₁₀H₁₁N₃O₃

4-Phenyl-1,2,4-triazolidine-3,5-dione

3-pyrrolidin-1-yl-6-phenyl-1,1,5,7-tetraoxo-1λ6-[1,2,4]triazolo[1,2-b][1,2,3,5]thiatriazole