4-Ethoxybenzamide

Base Information

• Chemical Name: 4-Ethoxybenzamide
• CAS No.: 55836-71-0
• Molecular Formula: C9H11 N O2
• Molecular Weight: 165.192
• Hs Code.: 2924299090
• European Community (EC) Number: 259-847-1,248-183-8
• DSSTox Substance ID: DTXSID10204431
• Nikkaji Number: J109.334G
• Wikidata: Q72471284
• ChEMBL ID: CHEMBL4294759
• Mol file: 55836-71-0.mol

Synonyms:4-Ethoxybenzamide;55836-71-0;p-Ethoxybenzamide;ar-Ethoxybenzamide;Ethoxybenzamide;27043-22-7;Benzamide, 4-ethoxy-;Formamide,N-(4-ethoxyphenyl)-;CHEMBL4294759;EINECS 259-847-1;Benzamide, ar-ethoxy-;4-Ethoxybenzamide, 97%;SCHEMBL1086282;DTXSID10204431;EINECS 248-183-8;BDBM50468588;MFCD00007996;AKOS001382339;BS-23245;CS-0197285;FT-0618380;E74021;J-515273;Z33546681

Chemical Property of 4-Ethoxybenzamide

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.000714mmHg at 25°C
• Melting Point: 208-210 ºC
• Boiling Point: 307.7 °C at 760 mmHg
• PKA: 16.36±0.50(Predicted)
• Flash Point: 159 °C
• PSA: 52.32000
• Density: 1.111 g/cm³
• LogP: 1.88450
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

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

4-Ethoxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)N
• Uses: 4-Ethoxybenzamide may be used in chemical synthesis studies.

Technology Process of 4-Ethoxybenzamide

There total 19 articles about 4-Ethoxybenzamide 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: 96.4%

4-ethoxybenzyl alcohol (6214-44-4) → p-ethoxybenzamide (55836-71-0)

Guidance literature:

With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; silver trifluoroacetate; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In N,N-dimethyl-formamide; at 80 ℃; for 10h; Reagent/catalyst; Solvent;

Reference yield: 85.0%

4'-ethoxyacetophenone (1676-63-7) → p-ethoxybenzamide (55836-71-0)

Guidance literature:

With ammonia; iodine; In water; at 60 ℃; for 1h;

DOI:10.1021/ol901250c

Reference yield: 74.0%

4-ethoxybenzaldehyde (10031-82-0) → p-ethoxybenzamide (55836-71-0)

Guidance literature:

With hydroxylamine hydrochloride; caesium carbonate; In acetonitrile; at 60 - 65 ℃;

DOI:10.1016/j.tetlet.2012.03.051

upstream raw materials:

4-ethoxybenzonitrile

4-ethoxy benzoyl azide

chlorure d'ethoxy-4 benzamidinium

carbamic chloride

Downstream raw materials:

4-(ethoxy)benzoic acid

4-ethoxybenzonitrile

N-acetyl-4-ethoxybenzamide

4-ethoxy-3-nitrobenzoic acid

Refernces

• 1、 Yamamoto, Takahiro,Togo, Hideo. "One-Pot Preparation of Aromatic Amides, 4-Arylthiazoles, and 4-Arylimidazoles from Arenes". . p. 4187 - 4196. Retrieved 2018/08/21.
• 2、 Ramesh,Narayana Murthy,Karnakar,Harsha Vardhan Reddy,Nageswar,Vijay,Prabhavathi Devi,Prasad. "A mild and expeditious synthesis of amides from aldehydes using bio glycerol-based carbon as a recyclable catalyst". supporting information; experimental part. p. 2636 - 2638. Retrieved 2012/06/30.