2-Semicarbazidoacetic acid, ethyl ester

Base Information

• Chemical Name: 2-Semicarbazidoacetic acid, ethyl ester
• CAS No.: 10598-87-5
• Molecular Formula: C10H12 N4 O6
• Molecular Weight: 284.2255
• Hs Code.: 2934999090
• NSC Number: 53258
• Nikkaji Number: J93.101B
• Wikidata: Q76304931
• Mol file: 10598-87-5.mol

Synonyms:2-Semicarbazidoacetic acid, ethyl ester;10598-87-5;ethyl 2-[carbamoyl-[(Z)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate;(E)-ETHYL 2-(1-CARBAMOYL-2-((5-NITROFURAN-2-YL)METHYLENE)HYDRAZINYL)ACETATE;2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid ethyl ester;NSC53258;WLN: T5OJ BNW E1UNNVZ1VO2;NSC-53258;W12041

Chemical Property of 2-Semicarbazidoacetic acid, ethyl ester

Chemical Property:

• Vapor Pressure: 3.88E-08mmHg at 25°C
• Melting Point: 174 °C
• Boiling Point: 445.7°Cat760mmHg
• PKA: 15.02±0.50(Predicted)
• Flash Point: 223.3°C
• PSA: 143.95000
• Density: 1.49g/cm³
• LogP: 1.68900
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 284.07568412
• Heavy Atom Count: 20
• Complexity: 407

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN(C(=O)N)N=CC1=CC=C(O1)[N+](=O)[O-]
• Isomeric SMILES: CCOC(=O)CN(C(=O)N)/N=C\C1=CC=C(O1)[N+](=O)[O-]

Technology Process of 2-Semicarbazidoacetic acid, ethyl ester

There total 5 articles about 2-Semicarbazidoacetic acid, 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:

2-hydrazinyl acetic acid ethyl ester hydrochloride (6945-92-2) → Ethyl-1-(5-nitro-furfuryliden)-2-semicarbazido-acetat (10598-87-5)

Guidance literature:

With sulfuric acid;

Reference yield:

5-nitrofurane-2-carboxaldehyde (698-63-5) → Ethyl-1-(5-nitro-furfuryliden)-2-semicarbazido-acetat (10598-87-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium cyanate; water; aqueous sulfuric acid

2: sulfuric acid

With potassium cyanate; sulfuric acid; water;

Reference yield:

5-nitrofurane-2-carboxaldehyde (698-63-5) + 2-hydrazinyl acetic acid ethyl ester hydrochloride (6945-92-2) → Ethyl-1-(5-nitro-furfuryliden)-2-semicarbazido-acetat (10598-87-5)

Guidance literature:

With potassium cyanate; ethanol; water;

upstream raw materials:

5-nitrofurane-2-carboxaldehyde

2-hydrazinyl acetic acid ethyl ester hydrochloride

ethanol

3-(5-nitrofurfurylideneamino)hydantoic acid

Refernces