2-Ethoxy-N-hydroxybenzimidamide

Base Information

• Chemical Name: 2-Ethoxy-N-hydroxybenzimidamide
• CAS No.: 879-57-2
• Molecular Formula: C9H12 N2 O2
• Molecular Weight: 180.206
• Hs Code.: 2925290090
• European Community (EC) Number: 618-095-8
• Mol file: 879-57-2.mol

Synonyms:2-Ethoxy-N-hydroxybenzimidamide;879-57-2;2-ETHOXY-N-HYDROXY-BENZAMIDINE;SCHEMBL2789846;AKOS000178429;AKOS022300686;BS-3556;2-ethoxy-N'-hydroxybenzene-1-carboximidamide;EN300-1291716;(Z)-2-ethoxy-N'-hydroxybenzene-1-carboximidamide

Chemical Property of 2-Ethoxy-N-hydroxybenzimidamide

Chemical Property:

• Vapor Pressure: 0.001-0.075Pa at 25-78℃
• Melting Point: 154-155 °C
• Boiling Point: 311.7±44.0 °C(Predicted)
• PKA: 14.66±0.50(Predicted)
• Flash Point: 174.5oC
• PSA: 65.34000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 1.88010
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99.9% ^*data from raw suppliers

2-Ethoxy-N''-hydroxybenzenecarboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C(=NO)N
• Isomeric SMILES: CCOC1=CC=CC=C1/C(=N/O)/N
• Uses: 2-Ethoxy-N''-hydroxybenzenecarboximidamide is a reagent used in the synthesis of cyclic pyrimidinones as novel inhibitors for PDE5.

Technology Process of 2-Ethoxy-N-hydroxybenzimidamide

There total 4 articles about 2-Ethoxy-N-hydroxybenzimidamide 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: 97.0%

2-ethoxybenzonitrile (6609-57-0) → 2-ethoxy-N'-hydroxybenzenecarboximidamide (879-57-2)

Guidance literature:

With hydroxylamine; In ethanol; water; at 50 ℃; for 12h;

Reference yield:

2-ethoxybenzonitrile (6609-57-0) → 2-ethoxy-N-hydroxybenzamidine (879-57-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; Heating;

DOI:10.1021/jm50018a009

Reference yield:

→ 2-ethoxy-N-hydroxybenzamidine (879-57-2)

Guidance literature:

upstream raw materials:

2-ethoxybenzonitrile

Downstream raw materials:

{(S)-2-[3-(2-ethoxyphenyl)-[1,2,4]oxadiazol-5-yl]pyrrolidin-1-yl}-(5-methyl-2-[1,2,3]triazol-2-ylphenyl)methanone

C₉H₁₂N₂O*C₂H₄O₂

2-(2-Ethoxyphenyl)-5-chloro-6-isopropylpyrimid-4(3H)-one

2-(2-Ethoxyphenyl)-5-bromo-6-isopropylpyrimid-4(3H)-one

Refernces

• 1、 -. "Oxadiazole pyrazole compound and application thereof". Paragraph 0024; 0025; 0026. . Retrieved 2018/09/08.
• 2、 Wang, Guan,Liu, Zheng,Chen, Tiantian,Wang, Zhen,Yang, Huaiyu,Zheng, Mingyue,Ren, Jing,Tian, Guanghui,Yang, Xiaojun,Li, Li,Li, Jianfeng,Suo, Jin,Zhang, Rongxia,Jiang, Xiangrui,Terrett, Nicholas Kenneth,Shen, Jingshan,Xu, Yechun,Jiang, Hualiang. "Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5". . p. 10540 - 10550. Retrieved 2013/02/22.