Cas no 78767-55-2 (Benzoic acid,4-formyl-, phenylmethyl ester)

Benzoic acid,4-formyl-, phenylmethyl ester structure
78767-55-2 structure
Product Name:Benzoic acid,4-formyl-, phenylmethyl ester
CAS No:78767-55-2
MF:C15H12O3
MW:240.253984451294
CID:553475
PubChem ID:11528845
Update Time:2024-02-26

Benzoic acid,4-formyl-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-formyl-, phenylmethyl ester
    • benzyl 4-formylbenzoate
    • 2,1,3-Benzoxadiazole-4-carboxaldehyde,1-oxide
    • 4-benzofuroxanaldehyde
    • 4-formylbenzofurazan
    • 4-Formylbenzofurazanoxid
    • 4-formylbenzoic acid benzyl ester
    • p-benzyloxycarbonylbenzaldehyde
    • AKOS025121947
    • 78767-55-2
    • SY083624
    • 4-Formyl-benzoic acid benzyl ester
    • Benzoic acid, 4-formyl-, phenylmethyl ester
    • A934470
    • FT-0744626
    • D78635
    • Benzoic acid,4-formyl-,phenylmethyl ester
    • CS-0366636
    • benzoic acid, 4-formyl-, phenylmethyl ester, AldrichCPR
    • MFCD00447122
    • JCYUVFOJNQNFQF-UHFFFAOYSA-N
    • SCHEMBL380997
    • Phenylmethyl 4-formylbenzoate (ACI)
    • 4-(Benzyloxycarbonyl)benzaldehyde
    • Inchi: 1S/C15H12O3/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13/h1-10H,11H2
    • InChI Key: JCYUVFOJNQNFQF-UHFFFAOYSA-N
    • SMILES: O=CC1C=CC(C(OCC2C=CC=CC=2)=O)=CC=1

Computed Properties

  • Exact Mass: 240.07900
  • Monoisotopic Mass: 240.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 274
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37000
  • LogP: 2.85610

Benzoic acid,4-formyl-, phenylmethyl ester Pricemore >>

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Benzoic acid,4-formyl-, phenylmethyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  overnight, rt
Reference
Stoichiometric imbalance-promoted step-growth polymerization based on self-accelerating 1,3-dipolar cycloaddition click reactions
Liu, Xianfeng; Xiang, Lue; Li, Jiayi; Wu, Ying; Zhang, Ke, Polymer Chemistry, 2020, 11(1), 125-134

Production Method 2

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethylformamide ;  30 min, rt
1.2 3 h, rt
Reference
Combined Cardioprotective and Adipocyte Browning Effects Promoted by the Eutomer of Dual sEH/PPARγ Modulator
Hartmann, Markus; Bibli, Sofia-Iris; Tews, Daniel; Ni, Xiaomin; Kircher, Theresa; et al, Journal of Medicinal Chemistry, 2021, 64(5), 2815-2828

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  30 min, rt
1.2 rt; 3 h, rt
Reference
Design, synthesis and biological evaluation of benzimidazole derivatives as novel human Pin1 inhibitors
Ma, Tianyi; Huang, Min; Li, Aihua; Zhao, Feng; Li, Deyi; et al, Bioorganic & Medicinal Chemistry Letters, 2019, 29(14), 1859-1863

Production Method 4

Reaction Conditions
1.1 Reagents: Cesium carbonate ,  Oxygen Solvents: Dimethylformamide ;  20 min, rt
1.2 24 h, rt
Reference
Development of HDAC Inhibitors Exhibiting Therapeutic Potential in T-Cell Prolymphocytic Leukemia
Toutah, Krimo; Nawar, Nabanita; Timonen, Sanna; Sorger, Helena; Raouf, Yasir S.; et al, Journal of Medicinal Chemistry, 2021, 64(12), 8486-8509

Production Method 5

Reaction Conditions
1.1 Reagents: Triphenylphosphine ,  Diisopropyl azodicarboxylate Solvents: Toluene ;  10 min, rt
1.2 overnight, rt
Reference
Spatially Resolved Covalent Functionalization Patterns on Graphene
Valenta, Leos; Kovaricek, Petr; Vales, Vaclav; Bastl, Zdenek; Drogowska, Karolina A.; et al, Angewandte Chemie, 2019, 58(5), 1324-1328

Production Method 6

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethylformamide ;  3 h, rt
Reference
Scalable synthesis of an integrin-binding peptide mimetic for biomedical applications
Riches, Andrew G.; Cablewski, Teresa; Glattauer, Veronica; Thissen, Helmut; Meagher, Laurence, Tetrahedron, 2012, 68(46), 9448-9455

Production Method 7

Reaction Conditions
1.1 Catalysts: Magnesium perchlorate Solvents: Nitromethane ;  overnight, 40 °C
Reference
Lewis acids as highly efficient catalysts for the decarboxylative esterification of carboxylic acids with dialkyl dicarbonates
Goossen, L.; Doehring, A., Advanced Synthesis & Catalysis, 2003, 345(8), 943-947

Production Method 8

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  rt; 12 h, rt
Reference
Pd-Catalyzed Debenzylation and Deallylation of Ethers and Esters with Sodium Hydride
Mao, Yujian; Liu, Ye; Hu, Yanwei; Wang, Liang; Zhang, Shilei; et al, ACS Catalysis, 2018, 8(4), 3016-3020

Production Method 9

Reaction Conditions
1.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  2 h, rt
Reference
Investigating the Cusp between the nano- and macro-sciences in supermolecular liquid-crystalline twist-bend nematogens
Simpson, Frank P.; Mandle, Richard J.; Moore, John N.; Goodby, John W., Journal of Materials Chemistry C: Materials for Optical and Electronic Devices, 2017, 5(21), 5102-5110

Production Method 10

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethylformamide ;  3 h, rt
Reference
Discovery of the first potent and selective Mycobacterium tuberculosis Zmp1 inhibitor
Mori, Mattia; Moraca, Francesca; Deodato, Davide; Ferraris, Davide M.; Selchow, Petra; et al, Bioorganic & Medicinal Chemistry Letters, 2014, 24(11), 2508-2511

Production Method 11

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Methanol ,  Water ;  20 h, pH 8, 25 °C
1.2 Solvents: Dimethylformamide ;  18 h, 25 °C
Reference
Polyaldol Synthesis by Direct Organocatalyzed Crossed Polymerization of Bis(ketones) and Bis(aldehydes)
Liu, Na; Martin, Anthony; Robert, Frederic; Vincent, Jean-Marc; Landais, Yannick; et al, Macromolecules (Washington, 2014, 47(2), 525-533

Production Method 12

Reaction Conditions
1.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  0 °C; 12 h, rt
Reference
Synthesis, characterization, and antifungal evaluation of thiolactomycin derivatives
Lv, Pei; Chen, Yiliang; Wang, Dawei; Wu, Xiangwei; Li, Qing X.; et al, Engineering (Beijing, 2020, 6(5), 560-568

Production Method 13

Reaction Conditions
1.1 Reagents: Cesium carbonate ,  Oxygen Solvents: Dimethylformamide ;  20 min, rt
1.2 24 h, rt
Reference
Discovery of HDAC6-Selective Inhibitor NN-390 with in Vitro Efficacy in Group 3 Medulloblastoma
Nawar, Nabanita; Bukhari, Shazreh; Adile, Ashley A.; Suk, Yujin; Manaswiyoungkul, Pimyupa; et al, Journal of Medicinal Chemistry, 2022, 65(4), 3193-3217

Production Method 14

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethylformamide ;  20 min, rt
1.2 24 h, rt
Reference
PTG-0861: A novel HDAC6-selective inhibitor as a therapeutic strategy in acute myeloid leukaemia
Gawel, Justyna M.; Shouksmith, Andrew E.; Raouf, Yasir S.; Nawar, Nabanita; Toutah, Krimo; et al, European Journal of Medicinal Chemistry, 2020, 201,

Production Method 15

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  rt; 45 min, rt
1.2 rt; 5 h, rt
Reference
Benzamide capped peptidomimetics as non-ATP competitive inhibitors of CDK2 using the REPLACE strategy
Premnath, Padmavathy Nandha; Craig, Sandra N.; Liu, Shu; McInnes, Campbell, Bioorganic & Medicinal Chemistry Letters, 2016, 26(15), 3754-3760

Benzoic acid,4-formyl-, phenylmethyl ester Raw materials

Benzoic acid,4-formyl-, phenylmethyl ester Preparation Products

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