4-Formylbenzamide

Base Information

• Chemical Name: 4-Formylbenzamide
• CAS No.: 6051-41-8
• Molecular Formula: C8H7 N O2
• Molecular Weight: 149.149
• Hs Code.: 2924299090
• European Community (EC) Number: 835-191-7
• Nikkaji Number: J1.038.266A
• Wikidata: Q69999978
• Mol file: 6051-41-8.mol

Synonyms:4-formylbenzamide;6051-41-8;4-formyl-benzamide;Benzamide, 4-formyl-;MFCD11099396;Benzamide,4-formyl-;benzamide-4-carboxaldehyde;4-Formylbenzamid;SCHEMBL317442;QWDCXCRLPNMJIH-UHFFFAOYSA-N;AKOS005174989;BS-13468;SY084003;CS-0197313;FT-0649650;EN300-30810;E76099;Z316909626

Chemical Property of 4-Formylbenzamide

Chemical Property:

• Melting Point: 153-158℃
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 290.25°C (rough estimate)
• PKA: 15.48±0.50(Predicted)
• PSA: 60.16000
• Density: 1.2021 (rough estimate)
• LogP: 1.29830
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.047678466
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

4-formylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)C(=O)N

Technology Process of 4-Formylbenzamide

There total 15 articles about 4-Formylbenzamide 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: 99.0%

4-cyanobenzaldehyde (105-07-7) → 4-formylbenzamide (6051-41-8)

Guidance literature:

With manganese(IV) oxide; water; In isopropyl alcohol; at 100 ℃; for 0.333333h; under 5171.62 Torr;

DOI:10.1021/ol403591c

Reference yield: 88.0%

4-formylbenzoyl azide → 4-formylbenzamide (6051-41-8)

Guidance literature:

With benzyltriethylammonium tetrathiomolybdate; In water; acetonitrile; at 25 ℃; for 3h;

DOI:10.1021/jo00128a048

Reference yield: 82.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + 4-bromo-benzaldehyde (1122-91-4) → 4-formylbenzamide (6051-41-8)

Guidance literature:

With 1H-imidazole; 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; ammonium chloride; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; at 90 ℃; for 3h; Sealed tube;

DOI:10.1016/j.tetlet.2015.06.054

upstream raw materials:

4-cyanobenzylidene diacetate

4-cyanobenzaldehyde

para-methylbenzonitrile

4-Carboxybenzaldehyde

Downstream raw materials:

4-[(4-Chloro-phthalazin-1-yl)-hydrazonomethyl]-benzamide

NH₂OCC₆H₄CH₂NH(CH₂)4NH₂(B₈H₁₁)NH(CH₂)4NHCH₂C₆H₄CONH₂

(Z)-5-hydroxy-2-(4-carbamoylbenzylidene)benzofuran-3(2H)-one

(4-hydroxymethyl)benzamide