Benzamide, N-(aminoiminomethyl)-

Base Information

• Chemical Name: Benzamide, N-(aminoiminomethyl)-
• CAS No.: 3166-00-5
• Molecular Formula: C8H9 N3 O
• Molecular Weight: 163.179
• Hs Code.: 2925290090
• NSC Number: 372164
• UNII: VJW2DLQ5TY
• DSSTox Substance ID: DTXSID80883914
• Nikkaji Number: J421.659H
• ChEMBL ID: CHEMBL110615
• Mol file: 3166-00-5.mol

Synonyms:3166-00-5;n-carbamimidoylbenzamide;Benzamide, N-(aminoiminomethyl)-;N-(diaminomethylidene)benzamide;N-AMIDINOBENZAMIDE;benzoylguanidine;VJW2DLQ5TY;N-(aminoiminomethyl)benzamide;NSC 372164;NSC-372164;CHEMBL1911971;1-benzoylguanidine;N-Benzoyl-guanidine;UNII-VJW2DLQ5TY;SCHEMBL828586;CHEMBL110615;DTXSID80883914;BDBM50356109;NSC372164;AKOS006272377;EN300-706200;Z1198149259

Chemical Property of Benzamide, N-(aminoiminomethyl)-

Chemical Property:

• Vapor Pressure: 7.57E-05mmHg at 25°C
• Boiling Point: 342.4°Cat760mmHg
• Flash Point: 160.9°C
• PSA: 78.97000
• Density: 1.27g/cm³
• LogP: 1.50080
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 163.074561919
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)N=C(N)N

Technology Process of Benzamide, N-(aminoiminomethyl)-

There total 9 articles about Benzamide, N-(aminoiminomethyl)- 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%

5-phenyl-1,2,4-oxadiazol-3-amine (7788-14-9) → benzoylguanidine (3166-00-5) + 2-amino-5-phenyl-1,3,4-oxadiazole (1612-76-6)

Guidance literature:

With pyrene; TEA; In acetonitrile; for 1h; UV-irradiation;

DOI:10.1002/jhet.5570380340

Reference yield: 89.0%

N-benzoylthiourea (614-23-3) → benzoylguanidine (3166-00-5)

Guidance literature:

With ammonia; iodine; triethylamine; at 20 ℃; for 4h;

DOI:10.2174/1570178617999200728212116

Reference yield:

2-[(pyridin-2-yl)amino]ethylamine (74764-17-3) + N1 -benzoyl-N2 -[3-(1H-imidazol-4-yl)propyl]-O-phenyl-isourea → N1 -Benzoyl-N2 -[3-(1H-imidazol-4-yl)propyl]-N3 -[2-(pyridin-2-ylamino)ethyl]-guanidine + benzoylguanidine (3166-00-5)

Guidance literature:

In ethanol;

upstream raw materials:

guanidine hydrochloride

benzoyl chloride

benzoic acid ethyl ester

guanidine nitrate

Downstream raw materials:

4-benzyl-6-phenyl-[1,3,5]triazin-2-ylamine

N¹-benzoyl-N³-phenylsulfonylguanidine

N-benzoylcarbamimidoyl-thioacetamide

4-[2-(4-Amino-6-phenyl-[1,3,5]triazin-2-yl)-ethyl]-2,6-di-tert-butyl-phenol

Refernces

• 1、 Buscemi,Pace,Vivona,Caronna. "Photoinduced molecular rearrangements. Some comments on the ring-photoisomerization of 1,2,4-oxadiazoles into 1,3,4-oxadiazoles". . p. 777 - 780. Retrieved 2007/10/03.