3,5-Dimethylbenzamide

Base Information

• Chemical Name: 3,5-Dimethylbenzamide
• CAS No.: 5692-35-3
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• Hs Code.: 2924299090
• NSC Number: 263781
• DSSTox Substance ID: DTXSID20312874
• Nikkaji Number: J3.124.105G
• Wikidata: Q82063632
• Mol file: 5692-35-3.mol

Synonyms:3,5-dimethylbenzamide;5692-35-3;Benzamide, 3,5-dimethyl- (7CI,8CI,9CI);NSC263781;SCHEMBL501850;DTXSID20312874;AKOS008937488;NSC 263781;NSC-263781

Chemical Property of 3,5-Dimethylbenzamide

Chemical Property:

• Vapor Pressure: 0.061mmHg at 25°C
• Melting Point: 135-135.5 °C(Solv: water (7732-18-5))
• Refractive Index: 1.55
• Boiling Point: 231.8 °C at 760 mmHg
• PKA: 16.22±0.50(Predicted)
• Flash Point: 94 °C
• PSA: 43.09000
• Density: 1.06 g/cm³
• LogP: 2.10260
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethylbenzamide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)C(=O)N)C

Technology Process of 3,5-Dimethylbenzamide

There total 14 articles about 3,5-Dimethylbenzamide 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: 96.0%

3,5-dimethylbenzoyl chloride (6613-44-1) → 3,5-dimethylbenzamide (5692-35-3)

Guidance literature:

With ammonium hydroxide; In chloroform; at 20 ℃; for 20h;

DOI:10.1021/jo0601563

Reference yield: 95.0%

3,5-dimethylbenzaldehyde (5779-95-3) → 3,5-dimethylbenzamide (5692-35-3)

Guidance literature:

With tert.-butylhydroperoxide; titanium superoxide; saccharin; In 1,4-dioxane; hexane; at 90 ℃; for 1h; Green chemistry;

DOI:10.1039/c9ra10413e

Reference yield: 87.0%

potassiumhexacyanoferrate(II) trihydrate + 5-bromo-1,3-xylene (556-96-7) → 3,5-dimethylbenzamide (5692-35-3)

Guidance literature:

With potassium phosphate; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In water; dimethyl sulfoxide; at 120 ℃; for 20h; Inert atmosphere; Sealed tube;

DOI:10.1039/c5ra00490j

upstream raw materials:

3,5-dimethylbenzoyl chloride

ethanol

N-<(α-acetoxy)-4-pyridylmethyl>-3,5-dimethylbenzamide

acetic anhydride

Downstream raw materials:

3,5-dimethylaminoaniline

N-acetyl-3,5-dimethylaniline

N,3,5-trimethylbenzamide

3,5-dimethylbenzoic acid

Refernces

• 1、 -. "Efficient nitriding reagent and application thereof". Paragraph 0517-0520. . Retrieved 2021/03/31.
• 2、 Jiao, Ning,Liu, Jianzhong,Qiu, Xu,Song, Song,Wei, Jialiang,Wen, Xiaojin,Zhang, Cheng,Zhang, Ziyao. "Nitromethane as a nitrogen donor in Schmidt-type formation of amides and nitriles". supporting information. p. 281 - 285. Retrieved 2020/01/28.