2-Ethoxybenzamidine

Base Information

• Chemical Name: 2-Ethoxybenzamidine
• CAS No.: 53623-81-7
• Molecular Formula: C9 H12 N2 O
• Molecular Weight: 164.207
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID90390649
• Wikidata: Q82187568
• Mol file: 53623-81-7.mol

Synonyms:2-ethoxybenzamidine;53623-81-7;2-ETHOXY-BENZAMIDINE;2-ethoxybenzenecarboximidamide;2-ETHOXYBENZENE-1-CARBOXIMIDAMIDE;2-ethoxybenzimidamide;SCHEMBL2564929;DTXSID90390649;GOSDGLKRVHPJEV-UHFFFAOYSA-N;AKOS000187907;FT-0743588;D87725;EN300-1262821

Chemical Property of 2-Ethoxybenzamidine

Chemical Property:

• PSA: 59.10000
• LogP: 2.16940
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

2-Ethoxy-Benzamidine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C(=N)N

Technology Process of 2-Ethoxybenzamidine

There total 4 articles about 2-Ethoxybenzamidine 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: 89.0%

2-ethoxybenzonitrile (6609-57-0) → 2-Ethoxybenzamidine (53623-81-7)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In ethanol; for 4h; Reflux;

Reference yield:

O-Ethyl-o-ethoxy-benzimidiumtetrafluoroborat → 2-Ethoxybenzamidine (53623-81-7)

Guidance literature:

With ammonia; In ethanol;

DOI:10.1021/jo01268a093

Reference yield:

salicylonitrile (611-20-1) → 2-Ethoxybenzamidine (53623-81-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / toluene; water / 1 h / 70 °C

1.2: 2 h / 60 - 70 °C

2.1: triethylamine; hydroxylamine hydrochloride / ethanol / 4 h / Reflux

With hydroxylamine hydrochloride; triethylamine; sodium hydroxide; In ethanol; water; toluene;

upstream raw materials:

2-ethoxybenzonitrile

salicylonitrile

Downstream raw materials:

C₁₁H₁₁ClN₂O₂

2-(2-ethoxy-5-nitro-phenyl)-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester

2-(5-amino-2-ethoxy-phenyl)-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester

2-(5-dimethylamino-2-ethoxy-phenyl)-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid